Receptor
PDB id Resolution Class Description Source Keywords
2OL4 2.26 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM ENOYL ACP REDUCTA TRICLOSAN REDUCTASE PLASMODIUM FALCIPARUM PFENR MALARIA TRICLOSAN ANALOG OXIDOREDUCTASE
Ref.: X-RAY STRUCTURAL ANALYSIS OF PLASMODIUM FALCIPARUM ACYL CARRIER PROTEIN REDUCTASE AS A PATHWAY TOWARD OPTIMIZATION OF TRICLOSAN ANTIMALARIAL EFFICACY J.BIOL.CHEM. V. 282 25436 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JPN A:700;
B:701;
Valid;
Valid;
none;
none;
ic50 = 440 nM
373.272 C21 H18 Cl2 O2 c1ccc...
NAD A:450;
B:451;
Invalid;
Invalid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V35 2.5 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF EOYL-ACP REDUCTASE WITH NADH PLASMODIUM FALCIPARUM FABI NADH ENOYL-ACP REDUCTASE P.FALCIPARUM OXIDOREDUCTAS
Ref.: STRUCTURAL BASIS FOR THE VARIATION IN TRICLOSAN AFF ENOYL REDUCTASES. J.MOL.BIOL. V. 343 147 2004
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3LT2 Ki = 0.38 uM FT3 C13 H10 Cl2 O3 c1cc(c(cc1....
2 2OOS ic50 = 76 nM JPJ C20 H16 Cl2 O2 c1ccc(cc1)....
3 1V35 Ki = 96 pM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
5 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
6 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1UH5 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
9 3AM3 Ki = 28 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 3LT1 Ki = 0.32 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
11 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
12 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
13 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
14 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
70% Homology Family (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3LT2 Ki = 0.38 uM FT3 C13 H10 Cl2 O3 c1cc(c(cc1....
2 2OOS ic50 = 76 nM JPJ C20 H16 Cl2 O2 c1ccc(cc1)....
3 1V35 Ki = 96 pM NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
5 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
6 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1UH5 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
9 3AM3 Ki = 28 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 3LT1 Ki = 0.32 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
11 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
12 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
13 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
14 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: JPN; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 JPN 1 1
2 JPJ 0.79661 0.961538
3 JPM 0.640625 0.888889
4 FT3 0.57377 0.774194
5 FT2 0.564516 0.888889
6 8PC 0.513889 0.705882
7 TCL 0.508475 0.846154
8 JPL 0.5 0.896552
9 1US 0.459459 0.787879
10 FT1 0.447761 0.785714
11 JPA 0.445946 0.758621
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V35; Ligand: NAI; Similar sites found: 762
This union binding pocket(no: 1) in the query (biounit: 1v35.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.006067 0.48804 None
2 1UO4 PIH 0.01009 0.46601 None
3 1KYV RBF 0.0003504 0.46025 None
4 5EQU AKG 0.00954 0.45219 None
5 1F5F DHT 0.0007485 0.44758 None
6 2WCV FUC 0.003416 0.44428 None
7 1TUV VK3 0.0182 0.44413 None
8 3RGG AIR 0.002868 0.44258 None
9 2E1A MSE 0.003752 0.44249 None
10 1KDK DHT 0.0003655 0.44214 None
11 1H8G CHT 0.047 0.43529 None
12 3NGU ADP 0.003934 0.42781 None
13 2PVQ GSH 0.002555 0.42707 None
14 1TE2 PGA 0.03688 0.41312 None
15 3LTW HLZ 0.000601 0.49788 0.714286
16 1MOQ GLP 0.001517 0.43171 0.911854
17 3PC3 P1T 0.003051 0.41326 0.911854
18 1M1B SPV 0.009835 0.43371 1.01695
19 2Q37 3AL 0.0376 0.41654 1.10497
20 5CSM TRP 0.0121 0.42458 1.17188
21 4LIT AKG 0.002837 0.45904 1.21581
22 3KYF 5GP 5GP 0.01235 0.41539 1.21581
23 4C6F NCD 0.002466 0.44539 1.51976
24 4C6F DOR 0.002466 0.44539 1.51976
25 1I0Z OXM 0.025 0.43663 1.51976
26 1UOU CMU 0.002932 0.43299 1.51976
27 3DGB MUC 0.005118 0.42737 1.51976
28 1I0Z NAI 0.002748 0.41645 1.51976
29 3NYQ AMP 0.0007457 0.40016 1.51976
30 1XX4 BAM 0.03192 0.40739 1.53257
31 1Y9Q MED 0.001224 0.48295 1.5625
32 4HZO COA 0.00004179 0.5363 1.57233
33 3A4V NAD 0.000001766 0.51733 1.57729
34 3A4V PYR 0.00731 0.41497 1.57729
35 4OHB 5HM 0.01467 0.40111 1.57895
36 2CFC NAD 0.0000008033 0.56044 1.6
37 1UF5 CDT 0.001809 0.45115 1.65016
38 1S8F GDP 0.0135 0.40606 1.69492
39 2Y6P CTP 0.002282 0.44683 1.7094
40 1BDB NAD 0.00000009808 0.57638 1.80505
41 2Q8H TF4 0.002603 0.48983 1.82371
42 9LDB OXM 0.004335 0.48667 1.82371
43 9LDT OXM 0.004624 0.48509 1.82371
44 1EK6 UPG 0.00005143 0.46463 1.82371
45 1P72 THM 0.001991 0.46022 1.82371
46 1WGC SIA GAL BGC 0.01504 0.4562 1.82371
47 3QO8 SSA 0.001133 0.44507 1.82371
48 2FFC U5P 0.001926 0.42782 1.82371
49 3BRE C2E 0.01937 0.42481 1.82371
50 1Z48 FMN 0.004007 0.42341 1.82371
51 2YPO PHE 0.0002374 0.42332 1.82371
52 9LDB NAD 0.001759 0.42148 1.82371
53 1Z41 FMN 0.005423 0.41822 1.82371
54 1CKM GTP 0.01352 0.4179 1.82371
55 1Z42 FMN 0.008809 0.41753 1.82371
56 3B96 MYA 0.003011 0.41692 1.82371
57 4P53 NAI 0.0007057 0.41514 1.82371
58 1Z44 FMN 0.01086 0.4099 1.82371
59 3WE0 FAD 0.00003561 0.40784 1.82371
60 1VDC FAD 0.0001738 0.40307 1.82371
61 1QZZ SAM 0.0173 0.40167 1.82371
62 1CTU ZEB 0.01242 0.4006 1.82371
63 3HB5 NAP 0.0000002531 0.49652 1.83486
64 3HB5 E2B 0.0002834 0.43818 1.83486
65 1NML CIT 0.02838 0.40764 1.84049
66 1FW1 GSH 0.00838 0.41448 1.85185
67 3ZUY TCH 0.02024 0.40615 1.85759
68 1R6W 164 0.008069 0.41139 1.86335
69 2NX1 RP5 0.0006727 0.41579 1.87266
70 2NX1 PEP 0.0007334 0.41462 1.87266
71 1MXI SAH 0.005073 0.41202 1.875
72 2F59 INI 0.001481 0.4321 1.91083
73 2Z9C DTC 0.002632 0.4029 2
74 2Z9C FMN 0.007811 0.40173 2
75 4ASJ N6A 0.00339 0.40522 2.04778
76 4F8L GAL 0.03965 0.43972 2.06897
77 3IHB TRS 0.0107 0.48857 2.12766
78 3IHB GLU 0.003392 0.46822 2.12766
79 4HXY NDP 0.000002281 0.46417 2.12766
80 2YIV NBN 0.005006 0.45975 2.12766
81 1H16 PYR 0.007907 0.45643 2.12766
82 1BXK NAD 0.000005076 0.44687 2.12766
83 2YIV YIV 0.0121 0.4468 2.12766
84 2Q09 DI6 0.003551 0.44354 2.12766
85 1V6A TRE 0.01261 0.44352 2.12766
86 1LDM NAD 0.001674 0.42494 2.12766
87 1V7W NDG 0.008419 0.41835 2.12766
88 1V7W NAG 0.008419 0.41835 2.12766
89 2NU8 COA 0.0007915 0.4167 2.12766
90 4DYO SD4 0.01485 0.4161 2.12766
91 1CER NAD 0.005202 0.41297 2.12766
92 2ZYF AKG 0.0234 0.40732 2.12766
93 2BII MTV 0.004531 0.40091 2.12766
94 3NFZ 3NF 0.004186 0.431 2.14067
95 1EYE PMM 0.01308 0.41035 2.14286
96 3SJU NDP 0.003903 0.43685 2.15054
97 2DWU DGL 0.00714 0.43016 2.17391
98 3I51 45C 0.001196 0.45365 2.22222
99 1AUX AGS 0.001496 0.43602 2.2508
100 1I7L ATP 0.001013 0.42313 2.26537
101 1B0U ATP 0.01043 0.40698 2.29008
102 4B9E FAH 0.006141 0.4553 2.32558
103 2YLD CMO 0.00831 0.44269 2.3622
104 1XSE NDP 0.0000002297 0.5264 2.37288
105 3PXP MYR 0.003211 0.42325 2.39726
106 3B1F NAD 0.0007223 0.46229 2.41379
107 1NF8 BOG 0.01047 0.44366 2.41546
108 1NF8 ISC 0.002398 0.44108 2.41546
109 2JAP NDP 0.0000001682 0.57728 2.42915
110 2JAH NDP 0.0000002658 0.49667 2.42915
111 2JAP J01 0.03885 0.41158 2.42915
112 2BO4 FLC 0.002375 0.47597 2.43161
113 4OB6 S2T 0.0002427 0.47145 2.43161
114 4OEV OXL 0.01133 0.44766 2.43161
115 3O2K DST 0.004024 0.44634 2.43161
116 2DVZ GLU 0.00301 0.44168 2.43161
117 3O2K QRP 0.003505 0.43885 2.43161
118 1A59 CIT 0.0138 0.43764 2.43161
119 1PX8 XYP 0.008652 0.43633 2.43161
120 2RCN GDP 0.004521 0.43412 2.43161
121 1I1Q TRP 0.007232 0.42991 2.43161
122 4P4T GDP 0.001787 0.42904 2.43161
123 2YVF NAD 0.00005662 0.42681 2.43161
124 1QPB PYM 0.0004184 0.42554 2.43161
125 1FP2 SAH 0.004831 0.4242 2.43161
126 2YVF FAD 0.00006716 0.42401 2.43161
127 4UAL 3FV 0.003492 0.42185 2.43161
128 1FP2 HMO 0.005745 0.41723 2.43161
129 1QPB TPP 0.001282 0.41001 2.43161
130 3HF3 FMN 0.003355 0.40851 2.43161
131 3HAZ FAD 0.0006482 0.40737 2.43161
132 1LL2 UPG 0.004517 0.40715 2.43161
133 2DDH HXD 0.005191 0.40499 2.43161
134 1U8X NAD 0.00853 0.40406 2.43161
135 3AYS CT3 0.02299 0.40375 2.43161
136 3M89 GSP 0.04204 0.40278 2.43161
137 3UER BTU 0.02097 0.40175 2.43161
138 3UER TUR 0.02097 0.40175 2.43161
139 3FC2 IBI 0.001252 0.40168 2.43161
140 3CH6 311 0.0000008569 0.53241 2.44755
141 4NAO AKG 0.02812 0.42203 2.45399
142 1F1V DHY 0.006832 0.431 2.47678
143 2F2U M77 0.002549 0.44477 2.48756
144 1E7S NAP 0.000004565 0.46005 2.49221
145 1GZ6 NAI 0.00001115 0.50668 2.50784
146 3SCH TB6 0.005513 0.45133 2.52525
147 1ZZ7 S0H 0.01046 0.42746 2.52525
148 3EJ0 11X 0.003794 0.45026 2.55102
149 2ORV 4TA 0.00208 0.40929 2.5641
150 4ZRN NAD 0.02008 0.40076 2.5641
151 1SNY NAP 0.0000001602 0.48224 2.62172
152 3UST FAD 0.005917 0.41672 2.62172
153 3R6K FUC GAL GLA 0.00971 0.44531 2.62295
154 4NAE 1GP 0.0301 0.41861 2.66667
155 2QQ0 ANP 0.0005059 0.41053 2.71739
156 2QQ0 TMP 0.0007164 0.40609 2.71739
157 2QQ0 ADP 0.0007164 0.40609 2.71739
158 3DG6 MUC 0.0001185 0.4894 2.7248
159 5D63 FUC GLA GLA 0.0339 0.41292 2.73038
160 4IMG NGF 0.007357 0.40269 2.73038
161 3WMX NAD 0.000000943 0.56769 2.73556
162 2PP3 LGT 0.0004207 0.46713 2.73556
163 1T0S BML 0.005962 0.46281 2.73556
164 3L6R MLI 0.004787 0.46072 2.73556
165 4KCT FDP 0.001149 0.45437 2.73556
166 4LHM AZZ 0.004117 0.45146 2.73556
167 3MJE NDP 0.000005469 0.45136 2.73556
168 1T10 F6P 0.004258 0.45077 2.73556
169 1H2M OGA 0.007678 0.44436 2.73556
170 1H2K OGA 0.007902 0.44375 2.73556
171 3P3N AKG 0.00892 0.4412 2.73556
172 4KCT PYR 0.004107 0.44075 2.73556
173 1E4E PHY 0.00153 0.43992 2.73556
174 2Y0I AKG 0.007451 0.43938 2.73556
175 4HA6 PXM 0.007912 0.43815 2.73556
176 2O2C G6Q 0.00172 0.43792 2.73556
177 4QVH FLC 0.04471 0.43779 2.73556
178 2WA4 069 0.003784 0.43283 2.73556
179 1OYB FMN 0.0005468 0.43227 2.73556
180 4B7E OGA 0.01713 0.42237 2.73556
181 1E4E ADP 0.003297 0.41905 2.73556
182 1E1O LYS 0.0008548 0.41885 2.73556
183 3B1J NAD 0.003121 0.41427 2.73556
184 3M6W SAM 0.007046 0.41372 2.73556
185 1OYB HBA 0.001146 0.41157 2.73556
186 2CE7 ADP 0.01219 0.40786 2.73556
187 4JRB PGT 0.01573 0.407 2.73556
188 4EPM AMP 0.004812 0.40002 2.73556
189 3V91 UPG 0.000426 0.43981 2.74914
190 4FN4 NAD 0.00000008101 0.59485 2.75591
191 3FPZ AHZ 0.000414 0.41412 2.76074
192 4E28 9MZ 0.03406 0.41282 2.76923
193 4E28 0MZ 0.03764 0.40617 2.76923
194 1CBF SAH 0.01085 0.40631 2.80702
195 2OFE NAG 0.002343 0.46932 2.8169
196 2OFD NGA 0.00284 0.46527 2.8169
197 3K3K A8S 0.00121 0.43141 2.8436
198 3QXG TLA 0.006058 0.40578 2.88066
199 2VPR TDC 0.00861 0.41028 2.89855
200 3U1T MLI 0.005159 0.4591 2.91262
201 1WRA PC 0.00193 0.48048 2.92208
202 1XE7 GUN 0.02621 0.43551 2.95567
203 1POC GEL 0.003486 0.42188 2.98507
204 1NVV GNP 0.000245 0.43656 3.01205
205 4WBD CIT 0.00377 0.47315 3.03951
206 4O8A 2OP 0.005986 0.4703 3.03951
207 1RPN NDP 0.00005054 0.46497 3.03951
208 3PLN U5P 0.002577 0.45513 3.03951
209 2V6G NAP 0.000007913 0.44938 3.03951
210 1P9B HDA 0.00555 0.44538 3.03951
211 2VHJ ADP 0.000584 0.443 3.03951
212 4WBD ADP 0.01125 0.44211 3.03951
213 2GWD GLU 0.005402 0.4355 3.03951
214 3MTW M3R 0.003943 0.42369 3.03951
215 2TPL HPP 0.0006501 0.42273 3.03951
216 3LST SAH 0.005922 0.42061 3.03951
217 4L7I SAM 0.003924 0.4199 3.03951
218 1P9B GDP 0.004237 0.41862 3.03951
219 4K28 NAD 0.004733 0.41736 3.03951
220 3R4S SLB 0.03423 0.40961 3.03951
221 1RYD GLC 0.04514 0.40679 3.03951
222 1Z82 NDP 0.007591 0.4037 3.03951
223 2BKA NDP 0.0001865 0.40139 3.03951
224 4O8A FAD 0.001155 0.40001 3.03951
225 3KJQ B94 0.001312 0.45198 3.04878
226 4USS GSH 0.00176 0.46265 3.07692
227 1RKX NAD 0.00001875 0.49793 3.08123
228 2JFV FLC 0.001077 0.48565 3.09278
229 1SB8 UD2 0.00005834 0.45979 3.125
230 1SB8 NAD 0.0001009 0.44747 3.125
231 3L0E G58 0.001709 0.40602 3.16206
232 3WXB NDP 0.0008204 0.46584 3.22581
233 4GK9 MAN BMA MAN MAN MAN 0.04417 0.42619 3.22581
234 1EQ2 NAP 0.0001582 0.40568 3.22581
235 1Q6O LG6 0.0006125 0.4556 3.24074
236 1SQ5 PAU 0.006033 0.43835 3.24675
237 4LXH C1E 0.00083 0.44585 3.2491
238 3CR4 PNT 0.004769 0.43312 3.26087
239 2P69 PLP 0.01137 0.43075 3.26797
240 3PMD 11A 0.007201 0.42545 3.26797
241 2XCG XCG 0.0006688 0.40984 3.26923
242 1UCN ADP 0.0171 0.40186 3.28947
243 3I6B KDO 0.002053 0.45961 3.33333
244 4R1S NAP 0.00001466 0.51843 3.34347
245 2Z9V PXM 0.008162 0.43238 3.34347
246 2H6T IVA VAL VAL STA ALA STA 0.0047 0.41688 3.34347
247 3VTF UPG 0.004609 0.41014 3.34347
248 4WVH ASP HIS ASP ALA HIS ALA 0.02084 0.40956 3.34347
249 3QP6 HL6 0.001666 0.44293 3.39623
250 1HDO NAP 0.00001436 0.49143 3.39806
251 1UI0 URA 0.02366 0.41668 3.41463
252 4WX0 HXD 0.006329 0.41557 3.42205
253 4EXO PYR 0.004005 0.47179 3.42466
254 1EB9 HBA 0.003249 0.43559 3.43511
255 2WUF KEM 0.002067 0.41255 3.43643
256 3GJB AKG 0.001863 0.45588 3.44828
257 1QY1 PRZ 0.001013 0.43037 3.44828
258 3V1V GST 0.005226 0.4151 3.4642
259 1G8S MET 0.003758 0.45939 3.47826
260 2YFT DQR 0.00344 0.42603 3.50263
261 2WGC SIA GAL BGC 0.00679 0.48516 3.50877
262 2Y7G AAE 0.002199 0.43371 3.5461
263 2WK1 SAH 0.003202 0.4125 3.5461
264 2F1K NAP 0.002722 0.42462 3.58423
265 2ZE3 AKG 0.009569 0.43427 3.63636
266 1O68 KIV 0.02081 0.41383 3.63636
267 1I2B UPG 0.00000004018 0.5017 3.64742
268 1I2B USQ 0.00000004018 0.5017 3.64742
269 3TKA CTN 0.005901 0.49632 3.64742
270 3HZL 6PC 0.004746 0.47575 3.64742
271 1KC7 PPR 0.005971 0.45591 3.64742
272 1DXY COI 0.01331 0.45153 3.64742
273 1I2B NAD 0.0002837 0.43775 3.64742
274 4PNI KQQ 0.0003361 0.43571 3.64742
275 1YBH P22 0.005466 0.43058 3.64742
276 3TKA SAM 0.00111 0.42896 3.64742
277 2QF7 COA 0.004024 0.42741 3.64742
278 3K5X P8D 0.007413 0.42491 3.64742
279 1YB5 NAP 0.00009631 0.42211 3.64742
280 1U5R ATP 0.005783 0.41712 3.64742
281 3BAZ NAP 0.007298 0.40943 3.64742
282 3ANK NG6 GCD 0.01814 0.4082 3.64742
283 1WQ1 GDP 0.01367 0.40556 3.64742
284 1LLU NAD 0.003393 0.40353 3.64742
285 3IAE D7K 0.001044 0.40129 3.64742
286 2B7N NTM 0.001265 0.47546 3.663
287 4PTZ FMN 0.001076 0.44152 3.66492
288 3ZOD FMN 0.001005 0.4134 3.66492
289 3ZOD HQE 0.001005 0.4134 3.66492
290 2Y7P SAL 0.001588 0.46467 3.66972
291 1H8P PC 0.0254 0.43626 3.66972
292 2O66 FLC 0.04237 0.40371 3.7037
293 4K30 NLG 0.003794 0.4475 3.75
294 2Q1A 2KT 0.005739 0.45048 3.75427
295 1XVA SAM 0.0003545 0.45093 3.76712
296 1VL0 NAI 0.0000146 0.42668 3.76712
297 1EZ4 NAD 0.004477 0.41567 3.77358
298 2OHV NHL 0.01617 0.41446 3.78788
299 4NEC SAH 0.0395 0.40099 3.78788
300 3OCZ SRA 0.00639 0.41174 3.81679
301 1NXJ GLV 0.01349 0.41794 3.82514
302 1NXJ TLA 0.01337 0.40101 3.82514
303 1MZV AMP 0.0003443 0.48196 3.82979
304 1E3W NAD 0.0000003307 0.5708 3.83142
305 1U7T TDT 0.0000006315 0.51451 3.83142
306 1U7T NAD 0.000001113 0.46468 3.83142
307 1E6W NAD 0.0000002979 0.57258 3.84615
308 3BHO B4P 0.006565 0.47652 3.84615
309 3O26 NDP 0.000000005996 0.53593 3.85852
310 1KBI PYR 0.0008899 0.41508 3.91389
311 1KBI FMN 0.0008899 0.41508 3.91389
312 4MOB ADP 0.008004 0.40973 3.91566
313 1SS4 CIT 0.000277 0.54772 3.92157
314 1SS4 GSH 0.007032 0.48564 3.92157
315 3VPQ GSH 0.02198 0.41726 3.92157
316 4M5P MLA 0.00396 0.48888 3.95137
317 4M5P 23W 0.006978 0.45926 3.95137
318 3RHZ UDP 0.0009727 0.43895 3.95137
319 2ZJ5 ADP 0.008303 0.43717 3.95137
320 2BH9 NAP 0.002859 0.4292 3.95137
321 2C5A NAD 0.00002079 0.42737 3.95137
322 2C29 NAP 0.0004841 0.42006 3.95137
323 1BUC CAA 0.001358 0.41548 3.95137
324 4M5P FMN 0.002777 0.41472 3.95137
325 2C29 DQH 0.0007147 0.41435 3.95137
326 1QS8 IVA VAL VAL STA ALA STA 0.005951 0.40942 3.95137
327 1NNS ASP 0.01797 0.40837 3.98773
328 4NBU NAI 0.0000001443 0.57985 4
329 4R3L COA 0.006338 0.41369 4.04624
330 1EYQ NAR 0.009776 0.42413 4.05405
331 4CCO OGA 0.0005406 0.48589 4.06852
332 4CCN OGA 0.004583 0.45522 4.06852
333 4OJ8 AKG 0.001817 0.42495 4.09556
334 4OJ8 2TQ 0.001721 0.41864 4.09556
335 3ABI NAD 0.00008046 0.47685 4.10959
336 1UDB UFG 0.00000003246 0.45316 4.14201
337 1UDB NAD 0.0001071 0.41204 4.14201
338 1B55 4IP 0.01741 0.40155 4.14201
339 1DBT U5P 0.008571 0.40346 4.1841
340 2X6T NAP 0.000105 0.41099 4.20168
341 1SG4 CO8 0.0001998 0.4358 4.23077
342 3MAG 3MA 0.002454 0.50057 4.23453
343 3MAG SAH 0.002349 0.42087 4.23453
344 2Q1W NAD 0.00001997 0.49318 4.25532
345 3I0O SMI 0.001082 0.47862 4.25532
346 4M51 BEZ 0.007812 0.4567 4.25532
347 2HFK E4H 0.002421 0.45636 4.25532
348 1R6D NAD 0.00008276 0.45549 4.25532
349 1R6D DAU 0.00008992 0.45327 4.25532
350 1TFZ 869 0.00042 0.44824 4.25532
351 2ZSC BTN 0.001404 0.44594 4.25532
352 1JQI CAA 0.000228 0.44133 4.25532
353 1YHM AHD 0.008944 0.43565 4.25532
354 1FBL HTA 0.005504 0.43046 4.25532
355 3I0O ADP 0.00639 0.42768 4.25532
356 1SQF SAM 0.01681 0.40999 4.25532
357 3K3G MMU 0.03553 0.40522 4.25532
358 1BW9 NAD 0.01431 0.40468 4.25532
359 1C1X NAD 0.008339 0.40446 4.25532
360 3ZF8 GDP 0.002574 0.44459 4.2623
361 4OBW SAM 0.01078 0.41301 4.28016
362 4JWX 1N4 0.005004 0.44204 4.28571
363 2Q3M MLA 0.003556 0.48251 4.29448
364 3CEV ARG 0.004044 0.44105 4.34783
365 3W8S GSH 0.002998 0.45791 4.36893
366 3MCT 3MC 0.00219 0.45833 4.3771
367 3MCT SAH 0.0005016 0.44129 4.3771
368 1TDF NAP 0.0005951 0.4059 4.43038
369 1LYX PGA 0.00744 0.41658 4.43548
370 1Y7P RIP 0.01402 0.44346 4.4843
371 2DTJ THR 0.003741 0.43764 4.49438
372 3AB4 THR 0.02974 0.41789 4.49438
373 3RFV NAI 0.0001001 0.40875 4.49438
374 1T3D CYS 0.01375 0.43771 4.49827
375 3O7B SAH 0.0005357 0.44866 4.5082
376 1UAY ADN 0.00761 0.43702 4.54545
377 1Z45 NAD 0.00002243 0.49869 4.55927
378 3V1U NAD 0.0000008381 0.4607 4.55927
379 1GY8 NAD 0.000005344 0.45205 4.55927
380 4GLL NAD 0.000008128 0.45133 4.55927
381 1SJD NPG 0.0002937 0.43767 4.55927
382 1Z45 GAL 0.006678 0.43634 4.55927
383 3I6I NDP 0.0002751 0.43336 4.55927
384 4BG1 OGA 0.0008384 0.43332 4.55927
385 4BG1 IVL 0.0008384 0.43332 4.55927
386 4PIV NDP 0.00003182 0.43068 4.55927
387 1H2B OCA 0.01324 0.42764 4.55927
388 1Z45 UPG 0.002021 0.42703 4.55927
389 2WMO GTP 0.005996 0.42039 4.55927
390 1P1M MET 0.001556 0.42017 4.55927
391 1C7S CBS 0.009213 0.41672 4.55927
392 1E2S CSN 0.01104 0.40962 4.55927
393 1AX2 NDG GAL 0.03038 0.40628 4.55927
394 3F3E LEU 0.0001851 0.40595 4.55927
395 2YDW WSH 0.01206 0.41583 4.57516
396 1ZBQ NAD 0.000004725 0.51707 4.58716
397 1ECM TSA 0.0008922 0.46996 4.58716
398 1W7J ADP BEF 0.0009766 0.44314 4.63576
399 1JH7 UVC 0.001744 0.46893 4.7619
400 1QDS PGA 0.001658 0.45276 4.78088
401 4LN7 1ZQ 0.007323 0.40946 4.78469
402 2PUL ACP 0.002251 0.4333 4.78589
403 4JCA CIT 0.00756 0.47307 4.79042
404 1Q11 TYE 0.001049 0.47283 4.86322
405 4COQ SAN 0.002918 0.4647 4.86322
406 1H0C AOA 0.006468 0.45417 4.86322
407 3M31 FAD 0.0004499 0.43516 4.86322
408 2Q1S NAI 0.0004607 0.42079 4.86322
409 2Q28 ADP 0.003811 0.41316 4.86322
410 4KQI NIO 0.0004228 0.41281 4.86322
411 4KQI RBZ 0.0004228 0.41281 4.86322
412 2PBD ATP 0.01981 0.40375 4.86322
413 2V51 ATP 0.0195 0.40131 4.86322
414 2HJR APR 0.0005221 0.46476 4.87805
415 3E81 SLB 0.004162 0.45123 4.87805
416 2JBH 5GP 0.001585 0.45897 4.88889
417 1PR9 NAP 0.00000009543 0.51474 4.91803
418 3D3W NAP 0.0000001805 0.49809 4.91803
419 4POS NAG SIA GAL 0.01858 0.42491 5.03597
420 2C2A ADP 0.006067 0.41261 5.03876
421 2NZ2 ASP 0.03106 0.40584 5.08475
422 4N7C AEF 0.007397 0.45125 5.11364
423 3WCS MAN NAG GAL 0.005915 0.42912 5.11811
424 3WCS MAN NAG 0.03376 0.40417 5.11811
425 3CQ5 PMP 0.01167 0.42072 5.14905
426 4J1Q NDP 0.000003547 0.44775 5.16717
427 1KTC NGA 0.008496 0.43159 5.16717
428 3A2Q ACA ACA 0.006602 0.41119 5.16717
429 1ECC PCP 0.003083 0.40663 5.16717
430 1Y8Q ATP 0.01538 0.40067 5.16717
431 2X2T GAL NGA 0.001797 0.49851 5.22876
432 1T0I FMN 0.002031 0.42695 5.2356
433 4B16 NAG 0.003793 0.48993 5.26316
434 4Q0A 4OA 0.0000638 0.48331 5.29801
435 2VDJ HSE 0.003366 0.47571 5.31561
436 4KWI NAP 0.000002343 0.49876 5.32319
437 4KWI 1TJ 0.000002528 0.49433 5.32319
438 1AUA BOG 0.002969 0.45233 5.40541
439 3AFN NAP 0.0000006347 0.48917 5.42636
440 3CXQ GLP 0.02467 0.41488 5.43478
441 4FGC PQ0 0.00562 0.44512 5.45455
442 2XDQ MGX 0.0005049 0.52822 5.47112
443 3DER ALA LYS 0.000008431 0.50469 5.47112
444 1K6M AGS 0.0002491 0.44795 5.47112
445 2C5S AMP 0.003482 0.44391 5.47112
446 4EPL JAI 0.004477 0.42151 5.47112
447 3A1I UNU 0.01085 0.4178 5.47112
448 3TFC PEP 0.03338 0.4044 5.47112
449 2VQ5 HBA 0.001816 0.4818 5.47264
450 2VQ5 LDP 0.03523 0.42848 5.47264
451 2FR6 URI 0.0002966 0.45829 5.47945
452 2FR6 CTN 0.0009918 0.43863 5.47945
453 2Q2V NAD 0.000000198 0.50548 5.4902
454 3O03 NAP 0.0000008508 0.4621 5.49828
455 4GO7 THR 0.009292 0.4207 5.5
456 1ZK4 NAP 0.000001455 0.4887 5.57769
457 3P7I P7I 0.002138 0.45881 5.60748
458 2GDZ NAD 0.00000007881 0.50817 5.61798
459 2R40 20E 0.001616 0.41295 5.6391
460 3GM5 CIT 0.003463 0.46111 5.66038
461 1O94 ADP 0.01173 0.40322 5.68182
462 1B5E DCM 0.01323 0.41832 5.69106
463 4KGM ATP 0.008509 0.41816 5.71429
464 3T2W BTN 0.000739 0.46778 5.7377
465 4EUE NAI 0.00000001454 0.53473 5.77508
466 1N7G GDR 0.00004906 0.46535 5.77508
467 1N7G NDP 0.0002843 0.4481 5.77508
468 1ORR NAD 0.00001554 0.44575 5.77508
469 4U9W SER GLY ARG GLY LYS NH2 0.0172 0.42476 5.77508
470 2JC9 ADN 0.01657 0.41835 5.77508
471 4U9W COA 0.01177 0.4015 5.77508
472 4AF5 CIT 0.003198 0.46278 5.78947
473 1X8X TYR 0.005752 0.42963 5.90062
474 1A5Z NAD 0.003397 0.43246 5.95611
475 2XI7 XI7 0.0209 0.4563 5.97826
476 1ULE GLA GAL NAG 0.0238 0.42044 6
477 3F81 STT 0.00543 0.47259 6.01093
478 3RF4 FUN 0.003735 0.44781 6.03448
479 1O9U ADZ 0.003015 0.48639 6.07903
480 4RJK PYR 0.02087 0.43443 6.07903
481 1TUF AZ1 0.0005815 0.42777 6.07903
482 4RJK TPP 0.001215 0.40777 6.07903
483 4OSP NAP 0.0000008009 0.47119 6.08365
484 1JA9 NDP 0.0000007373 0.48608 6.20438
485 3R51 MMA 0.004685 0.47605 6.25
486 1NYT NAP 0.006935 0.41036 6.27306
487 1XX6 ADP 0.02046 0.40594 6.28272
488 3F8C HT1 0.0125 0.42882 6.34921
489 2PZM NAD 0.00005279 0.45256 6.38298
490 1L2T ATP 0.0005477 0.43225 6.38298
491 1B7Y FYA 0.002402 0.4042 6.38298
492 1H5Q NAP 0.0000009719 0.54775 6.41509
493 1Q3P GLU ALA GLN THR ARG LEU 0.00583 0.41698 6.42202
494 2IYG FMN 0.0003851 0.47412 6.45161
495 3ZEI AWH 0.001409 0.4029 6.45161
496 1QH9 LAC 0.02137 0.42273 6.46552
497 2YCD GTB 0.01533 0.40746 6.52174
498 2PFC PLM 0.005004 0.42777 6.55738
499 3FXU TSU 0.001105 0.41846 6.55738
500 1C1L GAL BGC 0.009403 0.44602 6.56934
501 4NBW NAD 0.000001221 0.46635 6.61479
502 3ICC NAP 0.000000228 0.56731 6.66667
503 1Y42 TYR 0.008885 0.4307 6.68693
504 1E5Q NDP 0.003124 0.41679 6.68693
505 1JAC AMG 0.001918 0.50658 6.76692
506 3S9K CIT 0.009455 0.48569 6.77966
507 2RH4 EMO 0.000001232 0.48699 6.85921
508 1OGD RIP 0.001545 0.46521 6.87023
509 1ZEM NAD 0.000001724 0.45039 6.87023
510 4O0L NDP 0.0000001922 0.57503 6.90909
511 1RYI GOA 0.02151 0.45388 6.99088
512 1E5F PLP 0.00102 0.44686 6.99088
513 1KYZ SAH 0.001091 0.43707 6.99088
514 3QV9 QV7 0.008611 0.43642 6.99088
515 1VQ2 DDN 0.002521 0.4273 6.99088
516 3TLJ SAH 0.01241 0.40744 6.99088
517 3QDW NDG 0.0009201 0.49657 6.99301
518 3QDY CBS 0.001743 0.48269 6.99301
519 3QDT A2G GAL 0.006194 0.46195 6.99301
520 3QDW A2G 0.01042 0.45727 6.99301
521 3QDY A2G GAL 0.009729 0.45174 6.99301
522 1Z6Z NAP 0.0000001027 0.50198 7.0922
523 4TQG NDP 0.00000488 0.44839 7.12074
524 4LKK SIA GAL 0.009829 0.40122 7.14286
525 3CF6 SP1 0.001478 0.44051 7.18563
526 4B4D FAD 0.004747 0.40638 7.25191
527 1EZV SMA 0.001237 0.41051 7.27273
528 1EP2 ORO 0.0001984 0.41344 7.27969
529 2ZWS PLM 0.01388 0.46683 7.29483
530 3T1A 5MA 0.0003858 0.45401 7.29483
531 1PEA ACM 0.008917 0.45371 7.29483
532 1GJW GLC 0.006792 0.45311 7.29483
533 2RHQ GAX 0.0002166 0.45007 7.29483
534 1GJW MAL 0.002214 0.44739 7.29483
535 1QO0 BMD 0.009541 0.43978 7.29483
536 2Q46 NAP 0.00001674 0.43116 7.29483
537 2HEK GDP 0.00543 0.43071 7.29483
538 2AG5 NAD 0.0000003609 0.4877 7.31707
539 1B4P GPS 0.002254 0.42525 7.37327
540 1GEG NAD 0.0000001816 0.58105 7.42188
541 4L6C 0BT 0.001373 0.42206 7.42574
542 4ITU NAI 0.0000003928 0.55373 7.43494
543 3AY6 NAI 0.0000002906 0.54136 7.43494
544 4ITU 1HS 0.0000005643 0.5115 7.43494
545 3AY6 BGC 0.000001403 0.46935 7.43494
546 1I2L DCS 0.001981 0.42358 7.43494
547 1T26 GBD 0.001422 0.40609 7.45342
548 1UW1 ADP 0.0039 0.45256 7.5
549 3UEC ALA ARG TPO LYS 0.000249 0.52496 7.53425
550 2FGQ MLT 0.01363 0.43225 7.59878
551 2B4Q NAP 0.0000003591 0.56939 7.6087
552 2EWM NAD 0.0000002017 0.57422 7.63052
553 4QED NAP 0.00000149 0.46763 7.66129
554 3QP4 HL0 0.0005501 0.45744 7.69231
555 3DX5 DHB 0.02768 0.40026 7.69231
556 5L53 NAP 0.01628 0.4285 7.71605
557 1BO4 COA 0.02724 0.41614 7.7381
558 3QWI CUE 0.000002555 0.49418 7.77778
559 3QWI NAP 0.0000009269 0.48282 7.77778
560 3U4C NDP 0.00007625 0.41494 7.82918
561 2R42 FPS 0.005032 0.40874 7.8481
562 3RJ5 NAD 0.0000005727 0.52703 7.87402
563 2WSB NAD 0.0000004082 0.51822 7.87402
564 1GPJ CIT 0.001032 0.48654 7.90274
565 2ZJF BSU 0.002892 0.44243 7.90274
566 1WDA BAG 0.007889 0.42824 7.90274
567 1HFA PIO 0.03902 0.40303 7.95848
568 1IG3 VIB 0.001102 0.40334 7.98479
569 1PTR PRB 0.01885 0.43081 8
570 1JN2 SFP 0.01158 0.44857 8.01688
571 1GEE NAD 0.0000001459 0.58479 8.04598
572 1LOJ U 0.03482 0.42145 8.04598
573 3A0E M3M 0.04706 0.40589 8.18182
574 1EDO NAP 0.0000004759 0.49081 8.19672
575 4J7H TLO 0.003929 0.41619 8.20669
576 4J7H TRH 0.00818 0.401 8.20669
577 1NU4 MLA 0.006799 0.4311 8.24742
578 1N9L FMN 0.0008329 0.44147 8.25688
579 1YRX FMN 0.00952 0.41223 8.26446
580 4NBT NAD 0.00000003341 0.61568 8.33333
581 4K7O EKZ 0.002133 0.4783 8.33333
582 5EPO NAP 0.01443 0.41453 8.39695
583 3KMT SAH 0.002868 0.43337 8.40336
584 1P77 ATR 0.00198 0.48668 8.45588
585 1NFQ NAI 0.0000002101 0.50282 8.46154
586 2A2X NA9 0.003888 0.41636 8.49421
587 2FEQ 34P 0.007859 0.40827 8.49421
588 3SIX GDP 0.01719 0.40539 8.51064
589 1IIM TTP 0.0002695 0.4017 8.56164
590 1Q7B NAP 0.000001665 0.54316 8.60656
591 4FC7 NAP 0.000001084 0.50811 8.66426
592 2BZ1 TAU 0.003063 0.50552 8.67347
593 3JQA NAP 0.000005512 0.5314 8.68056
594 3JQG NAP 0.000006723 0.5279 8.68056
595 3JQB NAP 0.000006943 0.52733 8.68056
596 3BMO NAP 0.000006061 0.52533 8.68056
597 3BMQ NAP 0.000005025 0.52427 8.68056
598 3JQF NAP 0.000007878 0.51658 8.68056
599 3JQ9 NAP 0.00000546 0.45061 8.68056
600 3JQ8 NAP 0.000006914 0.44824 8.68056
601 3BMN NAP 0.000008326 0.44545 8.68056
602 1XIU REA 0.004749 0.41671 8.69565
603 3NNF AKG 0.0351 0.41217 8.72093
604 1RZM E4P 0.0008743 0.49768 8.81459
605 3W54 RNB 0.0006079 0.46066 8.81459
606 1RZM PEP 0.01683 0.41805 8.81459
607 4C2C ALA ALA ALA 0.04616 0.40204 8.81459
608 2ZAT NAP 0.00000007903 0.50656 8.84615
609 3LM9 ADP 0.0205 0.40217 8.9404
610 4LO6 SIA GAL 0.02054 0.4318 8.94737
611 1MXH NAP 0.0000245 0.45409 9.05797
612 1MXH DHF 0.00002765 0.45268 9.05797
613 2OWZ CIT 0.0005654 0.49916 9.11854
614 2FR1 NDP 0.00001417 0.49887 9.11854
615 1WHT BZS 0.009435 0.44001 9.11854
616 2HW1 FRU 0.01069 0.43201 9.11854
617 2OWZ F6P 0.002158 0.4299 9.11854
618 2HW1 ANP 0.002007 0.41976 9.11854
619 2CJH AKG 0.01094 0.40616 9.11854
620 2Q8M AMP 0.01745 0.40511 9.11854
621 3A2Y TS5 0.01173 0.40156 9.13706
622 1G0N PHH 0.00000132 0.50379 9.18728
623 1G0N NDP 0.000001969 0.49034 9.18728
624 1QR0 COA 0.005508 0.43044 9.21053
625 3A28 NAD 0.0000001449 0.58491 9.30233
626 2WD7 NAP 0.000006369 0.44597 9.32836
627 1JGS SAL 0.0009045 0.53666 9.42249
628 4W6Z ETF 0.0003598 0.53615 9.42249
629 3L24 GOA 0.01283 0.45239 9.42249
630 4IXW IXW 0.001591 0.4589 9.44882
631 2DTX BMA 0.000001109 0.50036 9.4697
632 2WZM NA7 0.01323 0.41492 9.54064
633 3WUD GLC GAL 0.002241 0.48488 9.55882
634 3KO8 NAD 0.000001293 0.47459 9.61539
635 1ZJ6 G3D 0.01131 0.413 9.62567
636 2W3L DRO 0.004828 0.47534 9.72222
637 1SJW NGV 0.001737 0.43775 9.72222
638 2R5T ANP 0.0001408 0.46101 9.72644
639 3SQG COM 0.01464 0.45686 9.72644
640 2W8Q SIN 0.01167 0.4413 9.72644
641 4AMV F6R 0.03464 0.4008 9.72644
642 1IM8 SAI 0.002775 0.41473 9.83607
643 3BY8 MLT 0.008987 0.447 9.85915
644 3SJ0 DXC 0.01179 0.44108 9.85915
645 1LNX URI 0.006155 0.43795 9.87654
646 2V5E SCR 0.003566 0.49144 9.90099
647 3SJ7 NDP 0.000001066 0.46872 9.92064
648 2DT5 NAD 0.006252 0.40472 9.95261
649 2UZ2 BTN 0.007698 0.4122 10
650 3ZPG 5GP 0.007796 0.4641 10.0304
651 2O4J VD4 0.00189 0.40463 10.0304
652 3SHR CMP 0.003424 0.43929 10.0334
653 1GU3 BGC BGC BGC BGC BGC 0.008964 0.43052 10.0671
654 4NPT 017 0.01238 0.41534 10.101
655 3NUG NAD 0.00000007855 0.50934 10.1215
656 2DKN NAI 0.0000001737 0.58704 10.1961
657 4PKG ATP 0.01937 0.4042 10.2151
658 1SC3 MLI 0.005463 0.46478 10.2273
659 1B74 DGN 0.03045 0.42582 10.2362
660 1A27 NAP 0.00000004064 0.51284 10.3343
661 2EJU SAH 0.0003404 0.45604 10.3343
662 2VAR ANP 0.0004775 0.44205 10.3343
663 1A27 EST 0.002288 0.43302 10.3343
664 3GTD MLI 0.0194 0.41982 10.3343
665 2VAR AMP 0.01111 0.41737 10.3343
666 2VAR KDF 0.01209 0.41178 10.3343
667 3QV1 NAD 0.01058 0.40017 10.3858
668 2HJ3 FAD 0.002776 0.41472 10.4
669 2BOI MFU 0.0156 0.41955 10.6195
670 3ZGE ASP 0.003512 0.47475 10.6383
671 2JJQ SAH 0.02183 0.41403 10.6383
672 1HK8 DGT 0.008713 0.40655 10.6383
673 2GZ3 NAP 0.002565 0.40018 10.6383
674 2F5T MAL 0.003649 0.4174 10.7296
675 4G28 0W8 0.0002409 0.49498 10.7843
676 2FYU FDN 0.001554 0.43132 10.8179
677 1WMA AB3 0.000000406 0.52394 10.8696
678 1WMA NDP 0.004877 0.40924 10.8696
679 1FK8 NAD 0.000002414 0.55582 10.8949
680 1O7N IND 0.005071 0.40223 10.9422
681 4YAG NAI 0.008765 0.40147 10.9422
682 3PNA CMP 0.007629 0.42889 11.039
683 2QLX RM4 0.002942 0.47132 11.1111
684 1YGC 905 0.002065 0.42291 11.1111
685 1X1T NAD 0.0000004959 0.54993 11.1538
686 1TH8 ADP 0.0169 0.40952 11.2069
687 2YY7 NAD 0.000001156 0.47349 11.2179
688 2EB5 OXL 0.01017 0.43844 11.236
689 3JQ3 ADP 0.00771 0.42418 11.2462
690 5RHN 8BR 0.007123 0.41354 11.3043
691 1U3I GSH 0.02467 0.41488 11.3744
692 3V1Y NAD 0.006258 0.40964 11.5502
693 1N5D NDP 0.00000001643 0.61642 11.8056
694 1XG5 NAP 0.0000001799 0.57615 11.828
695 1ZS6 ADP 0.009393 0.4249 11.8343
696 1C3V PDC 0.00446 0.44983 11.8367
697 3GGO NAI 0.001545 0.40203 11.8541
698 1YOA FMN 0.004263 0.49707 11.9497
699 3VZS NAP 0.000001215 0.49211 12.0623
700 2PR5 FMN 0.002399 0.42424 12.1212
701 1RL4 BL5 0.002163 0.45606 12.234
702 2B4B B33 0.03827 0.41664 12.2807
703 2BD0 NAP 0.000000115 0.57866 12.2951
704 1IY8 NAD 0.00000042 0.48983 12.3596
705 6FIV 3TL 0.0139 0.40554 12.3894
706 2HV8 GTP 0.002097 0.40917 12.5
707 1QD0 RR6 0.01936 0.40322 12.5
708 1Y1A GSH 0.02149 0.45294 12.5683
709 3EW2 BTN 0.001396 0.46139 12.5926
710 2P41 G1G 0.005756 0.43429 12.7869
711 2P41 SAH 0.01589 0.41115 12.7869
712 3MD0 GDP 0.002549 0.44988 13.3739
713 3RK0 AMP 0.003276 0.43544 13.3739
714 2HNK SAH 0.002803 0.41806 13.3891
715 4K26 NDP 0.000000731 0.55254 13.4058
716 4K26 SFF 0.0000008976 0.51652 13.4058
717 1MQ0 BRD 0.003945 0.42776 13.5714
718 1WNG SAH 0.001515 0.42784 13.5849
719 1HYH NAD 0.002481 0.41569 13.5922
720 3LU1 NAD 0.000007561 0.51728 13.6778
721 2QV7 ADP 0.0009007 0.449 13.6778
722 3BK2 U5P 0.006225 0.42382 13.6778
723 2D0V PQQ 0.004517 0.41046 13.8889
724 1NP0 NGT 0.02241 0.42173 14.2105
725 4G4S LDZ 0.003324 0.42267 14.4144
726 2P8O BVA 0.008372 0.40721 14.433
727 1WP4 NDP 0.007703 0.40344 14.5329
728 1F3L SAH 0.001963 0.41664 14.9533
729 1BTN I3P 0.0001721 0.58283 15.0943
730 1Y75 NAG 0.001102 0.46592 15.2542
731 1OAA OAA 0.0000000777 0.53451 15.444
732 4F4S EFO 0.003305 0.45022 15.7895
733 1W73 NAP 0.0000003009 0.5997 15.894
734 1W8D NAP 0.0000004001 0.46409 15.894
735 1A5V Y3 0.006209 0.44309 16.4557
736 2CDP GAL AAL GAL AAL GAL AAL 0.009191 0.40583 16.875
737 2XRH NIO 0.002335 0.47634 17
738 3LPF Z77 0.001935 0.4043 17.0213
739 3PMA SCR 0.002939 0.45253 17.2414
740 1KEW TYD 0.0001095 0.44831 17.6292
741 1KEW NAD 0.0001504 0.44455 17.6292
742 4P9Z NMI PTR 02K ASN NH2 0.02964 0.40677 17.9487
743 2QCX PF1 0.007289 0.43982 19.1489
744 1XKQ NDP 0.0000002638 0.50236 19.2857
745 4Q3F TLA 0.03573 0.4118 19.6581
746 2BGM NAJ 0.00000007963 0.4897 19.7842
747 1XHL NDP 0.0000001579 0.50602 20.8754
748 3TN7 NJP 0.0000001961 0.49915 21.7899
749 3ZV6 NAD 0.0000005381 0.51684 22.0641
750 3ZV6 4HB 0.0000005191 0.51255 22.0641
751 3GEG NAD 0.000001363 0.45944 22.2672
752 1DL7 NCH 0.02236 0.45455 25.6881
753 1W6U NAP 0.0000002061 0.4716 28.1457
754 5T2U NAP 0.003055 0.4367 29.0323
755 1Y2W NAG 0.002641 0.4668 30.2817
756 4CQM NAP 0.0000003639 0.48844 36.0656
757 1VL8 NAP 0.000000122 0.57281 36.7041
758 3OID NDP 0.0000003165 0.50091 42.2481
759 1AE1 NAP 0.0000001523 0.50975 45.7875
760 2WYV NAD 0.00000000007607 0.59047 46.7433
761 2AE2 NAP 0.0000001677 0.53085 48.4615
762 2AE2 PTO 0.004563 0.41554 48.4615
Pocket No.: 2; Query (leader) PDB : 1V35; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1v35.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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