Receptor
PDB id Resolution Class Description Source Keywords
2PD3 2.5 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF THE HELICOBACTER PYLORI ENOYL-ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH HYDROXYDIPHENYL E THER COMPOUNDS, TRICLOSAN AND DICLOSAN HELICOBACTER PYLORI ANTIBACTERIAL TARGET HELICOBACTER PYLORI TYPE II FATTY ACID BIOSYNTHESIS ENOYL-ACP-REDUCTASE FABI OXIDOREDUCTAS
Ref.: CRYSTAL STRUCTURE OF THE HELICOBACTER PYLORI ENOYL-ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH HYDROXYDIPHENYL ETHER COMPOUNDS, TRICLOSAN AND DICLOSAN PROTEINS V. 69 691 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:1780;
B:2780;
C:3780;
D:4780;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
TCL A:2414;
B:3414;
C:4414;
D:5414;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
289.542 C12 H7 Cl3 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PD4 2.3 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF THE HELICOBACTER PYLORI ENOYL-ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH HYDROXYDIPHENYL E THER COMPOUNDS, TRICLOSAN AND DICLOSAN HELICOBACTER PYLORI ANTIBACTERIAL TARGET HELICOBACTER PYLORI TYPE II FATTY ACID BIOSYNTHESIS ENOYL-ACP-REDUCTASE FABI OXIDOREDUCTAS
Ref.: CRYSTAL STRUCTURE OF THE HELICOBACTER PYLORI ENOYL-ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH HYDROXYDIPHENYL ETHER COMPOUNDS, TRICLOSAN AND DICLOSAN PROTEINS V. 69 691 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(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: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Ligand no: 2; Ligand: TCL; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 TCL 1 1
2 FT3 0.666667 0.758621
3 FT2 0.652174 0.88
4 FT1 0.652174 0.916667
5 FB4 0.555556 0.709677
6 JPM 0.555556 0.88
7 JPJ 0.545455 0.88
8 JPA 0.535714 0.88
9 JPL 0.526316 0.758621
10 8PC 0.517241 0.6875
11 DCN 0.511111 1
12 JPN 0.508475 0.846154
13 CH8 0.489362 1
14 J47 0.454545 0.814815
15 43F 0.418182 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PD4; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2pd4.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2PD4; Ligand: NAD; Similar sites found: 272
This union binding pocket(no: 2) in the query (biounit: 2pd4.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5U9J GER 0.04466 0.40282 None
2 5UEX 89D 0.03179 0.40019 None
3 5E8J SAH 0.01328 0.41897 1.45455
4 1GMN IDS SGN IDS SGN IDS 0.03312 0.41834 1.63934
5 1GZ6 NAI 0.000008018 0.50344 1.81818
6 2FR1 NDP 0.0000263 0.48028 1.81818
7 5F5N NAD 0.0004235 0.45078 1.81818
8 2OBM ADP 0.04722 0.40928 1.81818
9 3W68 4PT 0.03593 0.41441 1.8797
10 2BKA NDP 0.00008631 0.4713 2.06612
11 1Z45 NAD 0.00005156 0.47638 2.18182
12 1SB8 UD2 0.0001667 0.4597 2.18182
13 1SB8 NAD 0.0002538 0.44894 2.18182
14 1VL0 NAI 0.00002372 0.44569 2.18182
15 2C29 DQH 0.0002288 0.40899 2.18182
16 2D2I NAP 0.00819 0.40653 2.18182
17 2C29 NAP 0.0003136 0.4061 2.18182
18 1EK6 NAI 0.00005415 0.40082 2.18182
19 5MSO NAP 0.00001006 0.51649 2.21465
20 1EJ0 SAM 0.01451 0.40712 2.22222
21 3WMX NAD 0.00000468 0.52993 2.23464
22 3CM2 X23 0.04414 0.40765 2.30769
23 4QM7 GTP 0.03624 0.40403 2.33918
24 2XYQ SAH 0.01685 0.4041 2.45902
25 1ORR NAD 0.00003458 0.45989 2.54545
26 2PZM UDP 0.0002296 0.44632 2.54545
27 2PZM NAD 0.0002296 0.44632 2.54545
28 2IZ1 ATR 0.008941 0.44603 2.54545
29 3R4S SLB 0.008117 0.42551 2.54545
30 5CX6 CDP 0.03676 0.41174 2.54545
31 3LKZ SFG 0.01477 0.40377 2.54545
32 3BEO UDP 0.02548 0.40173 2.54545
33 1PZM 5GP 0.006435 0.44746 2.8436
34 3SJU NDP 0.00000006575 0.58244 2.90909
35 1Y1P NMN AMP PO4 0.0001161 0.48543 2.90909
36 5JAQ NAI 0.000006517 0.47354 2.90909
37 1WVG APR 0.0002027 0.46738 2.90909
38 4PIV NDP 0.00004073 0.45095 2.90909
39 5MPT SAH 0.004121 0.43238 2.90909
40 2HK9 ATR 0.01479 0.42423 2.90909
41 2Q1S NAI 0.0009511 0.42363 2.90909
42 3KO0 TFP 0.03329 0.41649 2.9703
43 2B1N LYS ALA SER VAL GLY 0.03787 0.40667 3.25203
44 5IN4 NAP 0.0004943 0.48681 3.27273
45 5IN4 GDP 0.0004796 0.48634 3.27273
46 5IN4 6CK 0.0005001 0.48625 3.27273
47 4ZRN NAD 0.00001993 0.47772 3.27273
48 4RDH AMP 0.003287 0.44461 3.27273
49 4OEV OXL 0.01168 0.44012 3.27273
50 5L4L NAP 0.001329 0.43695 3.27273
51 4D79 ATP 0.003464 0.43586 3.27273
52 4RDI ATP 0.006273 0.42396 3.27273
53 3B1F NAD 0.005038 0.41855 3.27273
54 2C5A GDC 0.00002521 0.41021 3.27273
55 2C5A NAD 0.00002521 0.41021 3.27273
56 4OKD GLC GLC GLC 0.04129 0.4078 3.27273
57 4ZRN UPG 0.0001069 0.40335 3.27273
58 4M38 SAH 0.01426 0.40159 3.27273
59 1QAN SAH 0.009961 0.40565 3.27869
60 1UAY ADN 0.00621 0.43521 3.30579
61 1BO4 COA 0.008696 0.43613 3.57143
62 2RH4 EMO 0.000001728 0.46847 3.63636
63 2Q1W NAD 0.00006501 0.46563 3.63636
64 4GLL NAD 0.00002997 0.45787 3.63636
65 3BP1 GUN 0.02058 0.43012 3.63636
66 1DNP MHF 0.02393 0.42615 3.63636
67 4GK9 MAN BMA MAN MAN MAN 0.03849 0.42081 3.63636
68 1I0Z NAI 0.002937 0.4088 3.63636
69 3C3Y SAH 0.01314 0.40607 3.79747
70 2PK3 A2R 0.0000558 0.51322 4
71 2V6G NAP 0.000003326 0.48881 4
72 1RKX NAD 0.00003062 0.4814 4
73 1RPN NDP 0.00002994 0.4637 4
74 1KEW TYD 0.0004313 0.44228 4
75 1KEW NAD 0.0005371 0.43962 4
76 1ZQ9 SAM 0.01407 0.40774 4
77 3O8M GLC 0.03617 0.40407 4
78 3O8M BGC 0.03617 0.40407 4
79 4CJN QNZ 0.04594 0.40198 4
80 1E3W NAD 0.00000008599 0.58329 4.21456
81 5XVQ SAH 0.009806 0.40318 4.22535
82 1E6W NAD 0.00000005365 0.59117 4.23077
83 1GY8 NAD 0.00001148 0.49753 4.36364
84 1BXK NAD 0.00002978 0.45029 4.36364
85 4RHS SIA SIA GAL 0.01241 0.44017 4.36364
86 2ZWA SAH 0.002149 0.43465 4.36364
87 3EVG SAH 0.01252 0.4101 4.36364
88 2VUT NAD 0.01127 0.40615 4.36364
89 4MPO AMP 0.02805 0.4008 4.57516
90 1U7T NAD 0.0000003717 0.56905 4.5977
91 1U7T TDT 0.0000001442 0.51708 4.5977
92 2CBZ ATP 0.04325 0.40934 4.64135
93 3LU1 NAD 0.00003274 0.48397 4.72727
94 1HYE NAP 0.002967 0.42538 4.72727
95 1LDM NAD 0.002259 0.41319 4.72727
96 3MB5 SAM 0.006898 0.40972 4.72727
97 4URG C2E 0.03189 0.41354 4.79042
98 4HXY NDP 0.000004277 0.51377 5.09091
99 3A4V NAD 0.000008917 0.48194 5.09091
100 3A4V PYR 0.000008917 0.48194 5.09091
101 4HXY ACA 0.02981 0.40044 5.09091
102 3BBD SAH 0.01516 0.40936 5.36585
103 5OFW 9TW 0.01187 0.44338 5.38117
104 4TQG NDP 0.00001489 0.46039 5.45455
105 5XVK SAH 0.01116 0.40078 5.45455
106 5KOK SAH 0.01741 0.40053 5.45455
107 4U7W NDP 0.00001322 0.50736 5.81818
108 3F81 STT 0.02125 0.42639 6.01093
109 4J1Q NDP 0.00002492 0.4489 6.18182
110 4PVD NDP 0.00005393 0.43802 6.18182
111 1ZGA SAH 0.02008 0.41009 6.18182
112 3RJ5 NAD 0.000001033 0.50451 6.29921
113 2Q46 NAP 0.00001688 0.49902 6.32411
114 1R6D NAD 0.0005644 0.4406 6.54545
115 1R6D DAU 0.0006596 0.43716 6.54545
116 2UYQ SAM 0.01599 0.42931 6.54545
117 1KYZ SAH 0.00811 0.4222 6.54545
118 1PL6 NAD 0.007448 0.41414 6.54545
119 2YY7 NAD 0.000002424 0.49398 6.90909
120 1V6A TRE 0.001834 0.48464 6.90909
121 1E5Q NDP 0.0005384 0.4402 6.90909
122 5THY SAH 0.001946 0.43999 6.90909
123 5L95 AMP 0.003385 0.43275 6.90909
124 2HJR APR 0.002004 0.43266 6.90909
125 3H8V ATP 0.006376 0.42363 6.90909
126 3H9E NAD 0.006291 0.40332 6.90909
127 4KRI SAH 0.01688 0.40113 6.90909
128 2HMT NAI 0.0004232 0.46532 6.94444
129 4ZFL 4NK 0.01279 0.4009 7.26496
130 5KVS NAP 0.009336 0.40141 7.27273
131 4E13 NAD 0.007497 0.41401 7.63636
132 5DW1 5GD 0.02888 0.40226 7.9646
133 4OSP NAP 0.0000002834 0.56846 7.98479
134 5TH5 MET 0.04044 0.40899 7.98479
135 4C4A SAH 0.00724 0.41781 8
136 3G4Q MCH 0.02939 0.40523 8.21918
137 3MJE NDP 0.000009151 0.47 8.36364
138 4BCQ TJF 0.005045 0.44829 8.36364
139 3X01 AMP 0.02867 0.41953 8.36364
140 5FPE 3TR 0.02745 0.40016 8.36364
141 3KO8 NAD 0.000009632 0.49654 9.09091
142 3UKR CKH 0.01995 0.41751 9.09091
143 1GU3 BGC BGC BGC BGC BGC 0.04542 0.40621 9.39597
144 1LTH NAD 0.004467 0.41487 9.45455
145 5GT9 NAP 0.0000006687 0.54429 9.5057
146 4WXJ GLU 0.04183 0.40818 9.66543
147 1NVM NAD 0.003923 0.40155 9.81818
148 3V1U NAD 0.000001118 0.56033 10.1818
149 4N9Z V3L 0.01252 0.43068 10.1818
150 1OAA OAA 0.00000004821 0.51867 10.4247
151 1E7S NAP 0.00001477 0.47038 10.5455
152 2G2Y MLI 0.02205 0.42606 10.5455
153 3V2U GLA 0.02174 0.41187 11.2727
154 4D3F NAP 0.005283 0.41765 11.6129
155 5LD5 NAD 0.007128 0.40911 11.6364
156 3O26 NDP 0.00000001305 0.56569 13.0909
157 4R1S NAP 0.00002855 0.49816 13.4545
158 5L4S NAP 0.0000002063 0.53376 13.8182
159 5L4S 6KX 0.0000002063 0.53376 13.8182
160 3RFV NAI 0.0001088 0.47095 13.8577
161 3RFV 15L 0.00221 0.42173 13.8577
162 4YEF 4CQ 0.01909 0.42762 14.6067
163 1FK8 NAD 0.0000003685 0.58016 14.9091
164 4B9Q ATP 0.01245 0.40421 14.9091
165 1ZBQ NAD 0.000007993 0.49956 15.2727
166 2DKN NAI 0.00000006438 0.59364 15.6863
167 2X6T NAP 0.0001473 0.45884 16.3636
168 1EQ2 NAP 0.0002297 0.45141 16.3636
169 3ABI NAD 0.0003561 0.44408 16.3636
170 3H4V NAP 0.00002115 0.44795 16.7273
171 3H4V DVP 0.00002014 0.44503 16.7273
172 1LSS NAD 0.009966 0.40852 17.1429
173 5L53 NAP 0.000001198 0.576 18.1818
174 1WMA NDP 0.0000007989 0.48602 18.5455
175 1WMA AB3 0.0000007989 0.48602 18.5455
176 1BDB NAD 0.000000283 0.549 19.2727
177 1MXH DHF 0.00002483 0.47528 20
178 1MXH NAP 0.00002693 0.47401 20
179 4J7U YTZ 0.00000003741 0.5839 22.1818
180 4J7U NAP 0.00000003741 0.5839 22.1818
181 1Z6Z NAP 0.0000000135 0.56366 22.1818
182 1IY8 NAD 0.0000002103 0.56332 22.8464
183 2BD0 NAP 0.00000008003 0.57409 22.9508
184 1A27 NAP 0.00000001854 0.60893 23.2727
185 3HB5 NAP 0.0000002029 0.48199 23.2727
186 3ORF NAD 0.0002559 0.45284 23.506
187 3ICC NAP 0.00000005931 0.57894 23.5294
188 3ZV6 NAD 0.000000393 0.50177 24
189 3ZV6 4HB 0.0000004324 0.49561 24
190 1XKQ NDP 0.0000003189 0.54709 24.7273
191 4YAG NAI 0.0000007158 0.48931 25.4545
192 3WXB NDP 0.0000000576 0.58462 25.8182
193 4K26 NDP 0.000000123 0.57214 26.9091
194 4K26 SFF 0.0000001216 0.52994 26.9091
195 3CH6 NAP 0.0000007025 0.43133 28
196 3CH6 311 0.0000007025 0.43133 28
197 1XSE NDP 0.0000001564 0.52136 28.3636
198 1JA9 NDP 0.0000005107 0.52023 28.8321
199 3RKR NAP 0.00004183 0.55507 29.3893
200 1N5D NDP 0.00000008571 0.57808 29.8182
201 2CFC NAD 0.0000001523 0.57901 30
202 3U4C NDP 0.00004748 0.44424 30.1818
203 1SNY NAP 0.0000001385 0.51862 30.3371
204 1XG5 NAP 0.00000006106 0.58366 30.9091
205 4EUE NAI 0.00000006397 0.55026 30.9091
206 3AY6 NAI 0.0000002427 0.53064 30.9091
207 3VZS NAP 0.000002358 0.46697 30.9091
208 3AY6 BGC 0.0000006875 0.46048 30.9091
209 1GEE NAD 0.0000004093 0.55721 31.0345
210 2BGM NAJ 0.000000224 0.50977 31.2727
211 3TN7 NJP 0.0000001588 0.53397 31.5175
212 1HDO NAP 0.00002542 0.4739 32.0388
213 2GDZ NAD 0.00000005843 0.54433 32.9588
214 1YXM ADE 0.0002629 0.52347 33.0909
215 4FC7 COA 0.0000001685 0.55997 33.4545
216 4FC7 NAP 0.0000001685 0.55997 33.4545
217 4NBW NAD 0.0000003235 0.51128 33.463
218 3GEG NAD 0.000001214 0.49138 33.8182
219 4KWI NAP 0.00000008281 0.52865 33.8403
220 4KWI 1TJ 0.00000009189 0.52178 33.8403
221 1GEG NAD 0.0000001268 0.5768 34.9091
222 1W8D NAP 0.000001118 0.56576 35.6364
223 1W73 NAP 0.000001146 0.56531 35.6364
224 2JAH NDP 0.0000001983 0.56429 36.4372
225 4QED NAP 0.000002211 0.49227 36.7273
226 1W6U NAP 0.0000007501 0.48583 37.0909
227 2B4Q NAP 0.00000009342 0.5819 37.4545
228 2JAP NDP 0.00000008991 0.57729 37.6518
229 4FN4 NAD 0.0000000495 0.59252 37.7953
230 1H5Q NAP 0.0000007746 0.54188 38.1132
231 4O0L NDP 0.00000008238 0.57873 38.1818
232 3QWI CUE 0.0000004761 0.54194 38.1818
233 3QWI NAP 0.0000005077 0.52064 38.1818
234 1G0N PHH 0.000000216 0.55446 39.2727
235 1G0N NDP 0.0000006621 0.53203 39.2727
236 4CLO NAP 0.000003357 0.53103 39.6364
237 3JQA NAP 0.000004181 0.52724 39.6364
238 5JDI NAP 0.000003653 0.52503 39.6364
239 3JQ7 NAP 0.000005145 0.52366 39.6364
240 3JQB NAP 0.000005485 0.52255 39.6364
241 5JDC NAP 0.000004276 0.52235 39.6364
242 4CME NAP 0.000004513 0.52143 39.6364
243 3BMQ NAP 0.00000381 0.51992 39.6364
244 3BMO NAP 0.000005127 0.51927 39.6364
245 4CM4 NAP 0.000005324 0.51863 39.6364
246 5JCJ NAP 0.000005342 0.51857 39.6364
247 3JQG NAP 0.000006921 0.51854 39.6364
248 4CM8 NAP 0.00000539 0.51842 39.6364
249 4CLR NAP 0.000005392 0.51841 39.6364
250 3JQ9 NAP 0.000004497 0.51715 39.6364
251 4CM9 NAP 0.000004931 0.51562 39.6364
252 4CMI NAP 0.000006947 0.51411 39.6364
253 3JQF NAP 0.000005558 0.51361 39.6364
254 3BMN NAP 0.000006424 0.51119 39.6364
255 3JQ8 NAP 0.000006597 0.51075 39.6364
256 5K6A NAP 0.000006127 0.47672 39.6364
257 2WD7 NAP 0.000004921 0.51997 40.6716
258 5ITV NAI 0.0000001136 0.57345 40.7843
259 1AE1 NAP 0.00000002794 0.5676 41.0256
260 2ZAT NAP 0.00000002374 0.6048 41.0909
261 2DTX BMA 0.0000004912 0.51025 41.2879
262 1O5I NAD 0.0001695 0.49145 41.3655
263 4NBT NAD 0.00000002486 0.6098 41.8182
264 1Q7B NAP 0.0000006826 0.54866 42.2131
265 3O03 NAP 0.0000007351 0.56245 42.5455
266 1ZK4 NAP 0.000001153 0.52008 42.6295
267 3A28 NAD 0.00000003948 0.5963 42.6357
268 1VL8 NAP 0.00000003355 0.58298 42.6966
269 5EPO NAP 0.000001203 0.53919 43.5115
270 4CQM NAP 0.0000003164 0.56151 43.8525
271 1XHL NDP 0.0000001681 0.53639 44
272 2AG5 NAD 0.00000005739 0.54474 47.1545
273 3D3W NAP 0.00000007506 0.57015 50
274 1PR9 NAP 0.00000006706 0.55433 50
Pocket No.: 3; Query (leader) PDB : 2PD4; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2pd4.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2PD4; Ligand: DCN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2pd4.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2PD4; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2pd4.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2PD4; Ligand: DCN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2pd4.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2PD4; Ligand: DCN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2pd4.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2PD4; Ligand: DCN; Similar sites found: 271
This union binding pocket(no: 8) in the query (biounit: 2pd4.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5U9J GER 0.04392 0.40321 None
2 5UEX 89D 0.03131 0.40052 None
3 5E8J SAH 0.0151 0.41621 1.45455
4 1GMN IDS SGN IDS SGN IDS 0.03283 0.41846 1.63934
5 1GZ6 NAI 0.000006687 0.50642 1.81818
6 2FR1 NDP 0.00002144 0.48359 1.81818
7 5F5N NAD 0.0003708 0.45311 1.81818
8 3W68 4PT 0.03178 0.4188 1.8797
9 2BKA NDP 0.00008721 0.47112 2.06612
10 1Z45 NAD 0.00004508 0.47863 2.18182
11 1SB8 UD2 0.0001355 0.46309 2.18182
12 1SB8 NAD 0.0002048 0.4524 2.18182
13 1VL0 NAI 0.00002064 0.44712 2.18182
14 2C29 DQH 0.0002131 0.41018 2.18182
15 2D2I NAP 0.007821 0.40738 2.18182
16 2C29 NAP 0.0002805 0.40693 2.18182
17 1EK6 NAI 0.00004304 0.403 2.18182
18 5MSO NAP 0.000008469 0.51951 2.21465
19 1EJ0 SAM 0.01334 0.40881 2.22222
20 3WMX NAD 0.000004119 0.53217 2.23464
21 3CM2 X23 0.04222 0.40862 2.30769
22 4QM7 GTP 0.03867 0.40255 2.33918
23 2XYQ SAH 0.01518 0.40621 2.45902
24 1ORR NAD 0.00002829 0.46285 2.54545
25 2IZ1 ATR 0.007776 0.4498 2.54545
26 2PZM UDP 0.0002644 0.44407 2.54545
27 2PZM NAD 0.0002644 0.44407 2.54545
28 3R4S SLB 0.01163 0.41468 2.54545
29 5CX6 CDP 0.03895 0.41033 2.54545
30 3BEO UDP 0.02359 0.40336 2.54545
31 3LKZ SFG 0.01577 0.40247 2.54545
32 3SJU NDP 0.00000006417 0.58284 2.90909
33 1Y1P NMN AMP PO4 0.00008952 0.49024 2.90909
34 5JAQ NAI 0.000006438 0.47373 2.90909
35 1WVG APR 0.0002226 0.4657 2.90909
36 4PIV NDP 0.00003835 0.452 2.90909
37 5MPT SAH 0.00365 0.43481 2.90909
38 2HK9 ATR 0.01095 0.43096 2.90909
39 2Q1S NAI 0.0008378 0.42566 2.90909
40 3KO0 TFP 0.02853 0.42067 2.9703
41 2JBH 5GP 0.009427 0.43872 3.11111
42 2B1N LYS ALA SER VAL GLY 0.04123 0.40468 3.25203
43 5IN4 NAP 0.0004932 0.48686 3.27273
44 5IN4 GDP 0.0004817 0.48626 3.27273
45 5IN4 6CK 0.0005005 0.48624 3.27273
46 4ZRN NAD 0.00001735 0.47989 3.27273
47 4RDH AMP 0.002823 0.44779 3.27273
48 4D79 ATP 0.002759 0.44041 3.27273
49 5L4L NAP 0.001215 0.43858 3.27273
50 4OEV OXL 0.01503 0.43396 3.27273
51 4RDI ATP 0.005369 0.42708 3.27273
52 3B1F NAD 0.004658 0.42004 3.27273
53 2C5A NAD 0.00002152 0.41175 3.27273
54 2C5A GDC 0.00002152 0.41175 3.27273
55 4OKD GLC GLC GLC 0.04028 0.40868 3.27273
56 4ZRN UPG 0.00009297 0.40486 3.27273
57 1QAN SAH 0.00934 0.40687 3.27869
58 1UAY ADN 0.006439 0.43444 3.30579
59 1BO4 COA 0.00953 0.43408 3.57143
60 2RH4 EMO 0.00000156 0.46971 3.63636
61 2Q1W NAD 0.00006322 0.46608 3.63636
62 4GLL NAD 0.00002801 0.46007 3.63636
63 1DNP MHF 0.02586 0.42451 3.63636
64 3BP1 GUN 0.0271 0.42356 3.63636
65 1I0Z NAI 0.002997 0.40846 3.63636
66 3C3Y SAH 0.01002 0.41142 3.79747
67 2PK3 A2R 0.00004758 0.51634 4
68 2V6G NAP 0.000002664 0.49197 4
69 1RKX NAD 0.00002933 0.48211 4
70 1RPN NDP 0.00003029 0.46352 4
71 1KEW TYD 0.0003965 0.44365 4
72 1KEW NAD 0.000505 0.44063 4
73 1ZQ9 SAM 0.01097 0.41275 4
74 3T5M AMP 0.03876 0.41099 4
75 1HDG NAD 0.008363 0.40082 4
76 1E3W NAD 0.00000007563 0.58543 4.21456
77 5XVQ SAH 0.009 0.40477 4.22535
78 1E6W NAD 0.00000004408 0.59446 4.23077
79 1GY8 NAD 0.00001013 0.4996 4.36364
80 1BXK NAD 0.00002456 0.45284 4.36364
81 4RHS SIA SIA GAL 0.01246 0.44077 4.36364
82 2ZWA SAH 0.002193 0.43426 4.36364
83 3EVG SAH 0.01179 0.4113 4.36364
84 2VUT NAD 0.01047 0.40757 4.36364
85 1Y8Q ATP 0.01066 0.40162 4.36364
86 4MPO AMP 0.02987 0.40001 4.57516
87 1U7T NAD 0.0000003058 0.57242 4.5977
88 1U7T TDT 0.0000001234 0.51868 4.5977
89 2CBZ ATP 0.04986 0.406 4.64135
90 3LU1 NAD 0.00002655 0.48748 4.72727
91 1HYE NAP 0.002742 0.42684 4.72727
92 1LDM NAD 0.002241 0.41332 4.72727
93 4URG C2E 0.0288 0.41485 4.79042
94 4HXY NDP 0.000003184 0.51863 5.09091
95 3A4V PYR 0.000008856 0.48206 5.09091
96 3A4V NAD 0.000008856 0.48206 5.09091
97 3BBD SAH 0.01775 0.40612 5.36585
98 5OFW 9TW 0.01399 0.439 5.38117
99 4TQG NDP 0.00001113 0.46374 5.45455
100 5XVK SAH 0.0102 0.40244 5.45455
101 4U7W NDP 0.00001225 0.50868 5.81818
102 1O6Z NAD 0.009368 0.40135 5.81818
103 3F81 STT 0.02123 0.42673 6.01093
104 5N53 8NB 0.007259 0.45061 6.15385
105 4J1Q NDP 0.00002456 0.44823 6.18182
106 4PVD NDP 0.0000424 0.44106 6.18182
107 1ZGA SAH 0.02375 0.40648 6.18182
108 3RJ5 NAD 0.0000009162 0.50651 6.29921
109 2Q46 NAP 0.00001378 0.50247 6.32411
110 1R6D NAD 0.0005018 0.44253 6.54545
111 1R6D DAU 0.0006563 0.43724 6.54545
112 2UYQ SAM 0.01577 0.42962 6.54545
113 1KYZ SAH 0.00986 0.41819 6.54545
114 1PL6 NAD 0.006369 0.41716 6.54545
115 2YY7 NAD 0.000001856 0.49669 6.90909
116 1V6A TRE 0.001312 0.49268 6.90909
117 1E5Q NDP 0.0004166 0.44456 6.90909
118 5THY SAH 0.001951 0.43994 6.90909
119 5L95 AMP 0.002983 0.43523 6.90909
120 2HJR APR 0.001861 0.43403 6.90909
121 3H8V ATP 0.005038 0.42836 6.90909
122 3H9E NAD 0.005836 0.40465 6.90909
123 4KRI SAH 0.0153 0.40308 6.90909
124 2HMT NAI 0.0003637 0.46818 6.94444
125 5KVS NAP 0.008844 0.4024 7.27273
126 4E13 NAD 0.006782 0.41595 7.63636
127 5DW1 5GD 0.02309 0.40709 7.9646
128 4OSP NAP 0.0000002689 0.56935 7.98479
129 5TH5 MET 0.0401 0.40919 7.98479
130 4C4A SAH 0.008025 0.41579 8
131 3G4Q MCH 0.03556 0.40101 8.21918
132 3MJE NDP 0.000007622 0.47244 8.36364
133 4BCQ TJF 0.005053 0.44825 8.36364
134 3X01 AMP 0.02908 0.41908 8.36364
135 2AWN ADP 0.03396 0.41416 8.36364
136 5FPE 3TR 0.02752 0.40011 8.36364
137 3KO8 NAD 0.000008706 0.49818 9.09091
138 3R7F CP 0.02799 0.41994 9.09091
139 5VKT NAP 0.004878 0.4003 9.09091
140 1GU3 BGC BGC BGC BGC BGC 0.03898 0.40986 9.39597
141 1LTH NAD 0.003955 0.41709 9.45455
142 2F1K NAP 0.008578 0.40036 9.45455
143 5GT9 NAP 0.0000006548 0.54464 9.5057
144 4WXJ GLU 0.04858 0.40459 9.66543
145 1NVM NAD 0.003502 0.40342 9.81818
146 3V1U NAD 0.0000009762 0.56275 10.1818
147 4N9Z V3L 0.01164 0.43334 10.1818
148 1OAA OAA 0.00000004114 0.52304 10.4247
149 1E7S NAP 0.00001236 0.47313 10.5455
150 2G2Y MLI 0.0271 0.42219 10.5455
151 4D3F NAP 0.004697 0.41988 11.6129
152 5LD5 NAD 0.006668 0.41035 11.6364
153 3O26 NDP 0.00000001132 0.56767 13.0909
154 4R1S NAP 0.00002511 0.50042 13.4545
155 5L4S 6KX 0.0000001697 0.53662 13.8182
156 5L4S NAP 0.0000001697 0.53662 13.8182
157 3RFV NAI 0.0001098 0.47079 13.8577
158 3RFV 15L 0.002516 0.41946 13.8577
159 4YEF 4CQ 0.01916 0.42881 14.6067
160 1FK8 NAD 0.0000003713 0.58003 14.9091
161 4B9Q ATP 0.01444 0.40135 14.9091
162 1ZBQ NAD 0.000006258 0.50353 15.2727
163 2DKN NAI 0.00000005799 0.59541 15.6863
164 2X6T NAP 0.0001262 0.46143 16.3636
165 1EQ2 NAP 0.0002107 0.45285 16.3636
166 3ABI NAD 0.0003009 0.4469 16.3636
167 3H4V NAP 0.00001962 0.44913 16.7273
168 3H4V DVP 0.00001894 0.44621 16.7273
169 1LSS NAD 0.007028 0.41526 17.1429
170 5L53 NAP 0.0000009645 0.58009 18.1818
171 1WMA NDP 0.0000006872 0.4881 18.5455
172 1WMA AB3 0.0000006872 0.4881 18.5455
173 1BDB NAD 0.000000262 0.55023 19.2727
174 1MXH DHF 0.00002176 0.47734 20
175 1MXH NAP 0.00002264 0.47673 20
176 4J7U YTZ 0.00000003585 0.58457 22.1818
177 4J7U NAP 0.00000003585 0.58457 22.1818
178 1Z6Z NAP 0.00000001254 0.56472 22.1818
179 1IY8 NAD 0.0000001641 0.5674 22.8464
180 2BD0 NAP 0.00000007004 0.57625 22.9508
181 1A27 NAP 0.0000000173 0.61009 23.2727
182 3HB5 NAP 0.0000001871 0.48283 23.2727
183 3ORF NAD 0.0002125 0.45599 23.506
184 3ICC NAP 0.00000005061 0.58151 23.5294
185 3ZV6 NAD 0.0000003886 0.50189 24
186 3ZV6 4HB 0.0000004275 0.49572 24
187 1XKQ NDP 0.0000002929 0.54845 24.7273
188 4YAG NAI 0.0000007027 0.49022 25.4545
189 3WXB NDP 0.00000005058 0.58676 25.8182
190 4K26 NDP 0.0000001085 0.5742 26.9091
191 4K26 SFF 0.0000001028 0.53209 26.9091
192 3CH6 311 0.0000006484 0.43199 28
193 3CH6 NAP 0.0000006484 0.43199 28
194 1XSE NDP 0.0000001414 0.52268 28.3636
195 1JA9 NDP 0.0000004331 0.5227 28.8321
196 3RKR NAP 0.00004265 0.55464 29.3893
197 1N5D NDP 0.0000000764 0.57997 29.8182
198 2CFC NAD 0.0000001323 0.58139 30
199 3U4C NDP 0.00004211 0.44544 30.1818
200 1SNY NAP 0.00000008764 0.52399 30.3371
201 1XG5 NAP 0.0000000573 0.5847 30.9091
202 4EUE NAI 0.00000006446 0.55017 30.9091
203 3AY6 NAI 0.0000002144 0.53202 30.9091
204 3VZS NAP 0.000002059 0.46861 30.9091
205 3AY6 BGC 0.0000006556 0.46186 30.9091
206 3VZS CAA 0.000007576 0.40071 30.9091
207 1GEE NAD 0.0000003416 0.56023 31.0345
208 2BGM NAJ 0.00000019 0.51176 31.2727
209 3TN7 NJP 0.0000001607 0.53293 31.5175
210 1HDO NAP 0.00002216 0.47606 32.0388
211 2GDZ NAD 0.00000004627 0.54737 32.9588
212 1YXM ADE 0.0002926 0.52135 33.0909
213 4FC7 NAP 0.0000001465 0.5622 33.4545
214 4FC7 COA 0.0000001465 0.5622 33.4545
215 4NBW NAD 0.0000002769 0.51378 33.463
216 3GEG NAD 0.000001106 0.49255 33.8182
217 4KWI NAP 0.00000008243 0.52883 33.8403
218 4KWI 1TJ 0.00000009148 0.52197 33.8403
219 1GEG NAD 0.0000001021 0.58041 34.9091
220 1W8D NAP 0.0000009832 0.5681 35.6364
221 1W73 NAP 0.0000009993 0.56781 35.6364
222 2JAH NDP 0.000000178 0.56606 36.4372
223 4QED NAP 0.00000213 0.49249 36.7273
224 1W6U NAP 0.0000006322 0.48775 37.0909
225 2B4Q NAP 0.00000008151 0.58418 37.4545
226 2JAP NDP 0.0000000782 0.57959 37.6518
227 4FN4 NAD 0.00000004398 0.59449 37.7953
228 1H5Q NAP 0.0000006227 0.54547 38.1132
229 4O0L NDP 0.00000008106 0.579 38.1818
230 3QWI CUE 0.0000004426 0.5431 38.1818
231 3QWI NAP 0.0000004322 0.52313 38.1818
232 1G0N PHH 0.000000207 0.55514 39.2727
233 1G0N NDP 0.0000005671 0.53445 39.2727
234 4CLO NAP 0.000003042 0.53274 39.6364
235 3JQA NAP 0.000003601 0.52982 39.6364
236 5JDI NAP 0.000003381 0.52634 39.6364
237 3JQ7 NAP 0.000004488 0.52602 39.6364
238 3JQB NAP 0.000004727 0.52512 39.6364
239 5JDC NAP 0.000003817 0.52428 39.6364
240 4CME NAP 0.000003821 0.52426 39.6364
241 3BMO NAP 0.000004194 0.52268 39.6364
242 3BMQ NAP 0.000003379 0.52193 39.6364
243 4CLR NAP 0.000004417 0.5218 39.6364
244 3JQG NAP 0.000005953 0.52114 39.6364
245 4CM8 NAP 0.000004617 0.52105 39.6364
246 4CM4 NAP 0.000004643 0.52095 39.6364
247 5JCJ NAP 0.000005012 0.51965 39.6364
248 3JQ9 NAP 0.000004172 0.51841 39.6364
249 4CM9 NAP 0.000004377 0.51761 39.6364
250 3JQF NAP 0.000004959 0.51552 39.6364
251 4CMI NAP 0.000006803 0.51446 39.6364
252 3BMN NAP 0.00000562 0.51343 39.6364
253 3JQ8 NAP 0.000005964 0.51244 39.6364
254 5K6A NAP 0.000005506 0.47815 39.6364
255 2WD7 NAP 0.000004285 0.52231 40.6716
256 5ITV NAI 0.00000009521 0.57635 40.7843
257 1AE1 NAP 0.00000002364 0.56998 41.0256
258 2ZAT NAP 0.00000001966 0.60795 41.0909
259 2DTX BMA 0.0000004347 0.51193 41.2879
260 1O5I NAD 0.0001404 0.49515 41.3655
261 4NBT NAD 0.00000002244 0.61154 41.8182
262 1Q7B NAP 0.0000005986 0.55086 42.2131
263 3O03 NAP 0.0000007263 0.56266 42.5455
264 1ZK4 NAP 0.0000009296 0.52343 42.6295
265 3A28 NAD 0.0000000324 0.5996 42.6357
266 1VL8 NAP 0.00000003068 0.58441 42.6966
267 5EPO NAP 0.000001034 0.54172 43.5115
268 5EPO TUD 0.02205 0.40165 43.5115
269 4CQM NAP 0.0000002626 0.56463 43.8525
270 1XHL NDP 0.0000001552 0.53751 44
271 2AG5 NAD 0.00000004996 0.54663 47.1545
272 3D3W NAP 0.00000008137 0.56887 50
273 1PR9 NAP 0.00000005394 0.55762 50
Feedback