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Receptor
PDB id Resolution Class Description Source Keywords
1QG6 1.9 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN ESCHERICHIA COLI FATTY ACID SYNTHESIS ANTIBACTERIAL OXIDOREDUCTASE
Ref.: KINETIC AND STRUCTURAL CHARACTERISTICS OF THE INHIBITION OF ENOYL (ACYL CARRIER PROTEIN) REDUCTASE BY TRICLOSAN. BIOCHEMISTRY V. 38 12514 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:501;
B:502;
C:503;
D:504;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
TCL A:601;
B:602;
C:603;
D:604;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 Kd = 22 pM
289.542 C12 H7 Cl3 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QG6 1.9 Å EC: 1.3.1.9 CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN ESCHERICHIA COLI FATTY ACID SYNTHESIS ANTIBACTERIAL OXIDOREDUCTASE
Ref.: KINETIC AND STRUCTURAL CHARACTERISTICS OF THE INHIBITION OF ENOYL (ACYL CARRIER PROTEIN) REDUCTASE BY TRICLOSAN. BIOCHEMISTRY V. 38 12514 1999
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 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....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 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 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
19 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
20 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
21 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
23 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
24 5CG1 - NAD BBN n/a n/a
25 5CG2 - NAD CJ3 n/a n/a
50% Homology Family (143)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
19 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
20 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
21 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
22 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
23 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
24 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
25 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
26 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
27 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
29 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
30 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
31 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
32 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
33 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
34 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
35 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
36 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
37 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
38 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
39 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
41 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
43 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
44 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
45 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 6EP8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
48 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
49 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
50 5OIC ic50 < 1 mM 9VQ C11 H12 N2 O c1cnn(c1)C....
51 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
53 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
54 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
55 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5OIM ic50 = 790 uM 9VZ C11 H15 N O2 S CCOC(=O)[C....
57 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
58 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
60 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
61 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
62 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
63 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
65 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
66 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
67 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
68 5OIR Kd = 6.3 uM 9W8 C16 H20 N4 O CC1=CC(=O)....
69 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
70 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
71 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
72 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
73 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
74 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
75 5VRM - 9JJ C35 H37 B F3 N7 O17 P2 B1(c2cc(cc....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 5OIS ic50 = 500 nM 9WK C19 H18 Cl F N4 O Cc1cc(n(n1....
78 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
79 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
80 5OIP ic50 = 79 uM 9WE C16 H20 N6 O c1cc(cnc1)....
81 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
82 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
87 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
88 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
89 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 4TRO Ki = 0.75 nM NAD ZID n/a n/a
91 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
92 5OIF ic50 = 500 uM 9W5 C11 H13 N3 Cc1cc(n(n1....
93 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
94 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
95 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
96 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
97 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
98 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
99 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
100 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
101 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
102 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
103 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
105 1CWU - NAD TDB n/a n/a
106 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
114 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
115 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
116 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
117 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
118 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
119 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1UH5 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
121 3AM3 Ki = 28 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
122 3LT1 Ki = 0.32 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
123 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
124 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
125 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
126 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
127 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
128 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
129 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
130 5CG1 - NAD BBN n/a n/a
131 5CG2 - NAD CJ3 n/a n/a
132 5OVL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
133 5YCS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
134 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
135 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
136 5YCR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
139 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
140 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
141 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
142 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
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 : 1QG6; Ligand: NAD; Similar sites found with APoc: 467
This union binding pocket(no: 1) in the query (biounit: 1qg6.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 1RL4 BL5 1.06383
2 2UYQ SAM 1.14943
3 1XFF GLU 1.25
4 4PVD NDP 1.53257
5 4Y9D NAI 1.53257
6 1RJD SAM 1.53257
7 1KEW NAD 1.91571
8 1KEW TYD 1.91571
9 3O7W SAM 1.91571
10 3R4S SLB 1.91571
11 4XB2 NDP 1.91571
12 3H5N ATP 1.91571
13 5TC4 NAD 1.91571
14 2B4R AES 1.91571
15 2B4R NAD 1.91571
16 4KOA NDP 1.91571
17 5OOH 9ZZ 1.94175
18 5OOH NAP 1.94175
19 3ABI NAD 2.29885
20 2C5A NAD 2.29885
21 2C5A GDC 2.29885
22 1BW9 NAD 2.29885
23 1UDB NAD 2.29885
24 1UDB UFG 2.29885
25 5H81 NAP 2.29885
26 3I7S PYR 2.29885
27 6GKV SAH 2.29885
28 6DNT NAD 2.68199
29 1BXK NAD 2.68199
30 4E13 NAD 2.68199
31 4GLL NAD 2.68199
32 5ERG SAM 2.68199
33 1SB8 NAD 2.68199
34 1SB8 UD2 2.68199
35 3H9E NAD 2.68199
36 4IX4 ADP 2.68199
37 6CMJ F6J 2.68199
38 6CEP NAD 2.68199
39 6CEP OXM 2.68199
40 2GZ3 NAP 2.68199
41 2Q46 NAP 2.7668
42 1Y1P NMN AMP PO4 2.92398
43 1Z6Z NAP 3.06513
44 4J7U NAP 3.06513
45 4J7U YTZ 3.06513
46 4HXY NDP 3.06513
47 5GT9 NAP 3.06513
48 5MSO NAP 3.06513
49 1RKX NAD 3.06513
50 2GN4 UD1 3.06513
51 2GN4 NDP 3.06513
52 1V6A TRE 3.06513
53 1WVG APR 3.06513
54 2IZ1 ATR 3.06513
55 1E5Q NDP 3.06513
56 3B1F NAD 3.06513
57 4D3F NAP 3.06513
58 3FSY SCA 3.06513
59 4OM8 NAD 3.06513
60 2F5X ASP 3.06513
61 4B4U NAP 3.06513
62 4RP9 ASC 3.06513
63 2ZTG A5A 3.06513
64 1O6Z NAD 3.06513
65 4O08 PO6 3.06513
66 4C4A SAH 3.06513
67 3BP1 GUN 3.06513
68 3LKZ SFG 3.06513
69 5UR0 NAD 3.06513
70 4N49 SAM 3.06513
71 4Z0H NAD 3.06513
72 5LD5 NAD 3.06513
73 1KYZ SAH 3.06513
74 4KQW NAP 3.06513
75 5ZZ6 ADP 3.36538
76 5ZZ6 NAD 3.36538
77 5O98 NAP 3.44828
78 1U7T NAD 3.44828
79 1U7T TDT 3.44828
80 1E7S NAP 3.44828
81 1A27 NAP 3.44828
82 2FR1 NDP 3.44828
83 3HB5 NAP 3.44828
84 3LU1 NAD 3.44828
85 2HK9 ATR 3.44828
86 3L9W AMP 3.44828
87 4U7W NDP 3.44828
88 1GV0 NAD 3.44828
89 2J5V PCA 3.44828
90 2RCA GLY 3.44828
91 3V1Y NAD 3.44828
92 1HYE NAP 3.44828
93 1TZD ADP 3.44828
94 1GUZ NAD 3.44828
95 1OMO NAD 3.44828
96 4IVN BMX 3.44828
97 5OCM NAP 3.44828
98 4XDZ NDP 3.44828
99 3PT9 SAH 3.44828
100 3RJ5 NAD 3.54331
101 5ZEC NAP 3.83142
102 5IN4 6CK 3.83142
103 5IN4 GDP 3.83142
104 5IN4 NAP 3.83142
105 2G2Y MLI 3.83142
106 5OJL TXP 3.83142
107 1A99 PUT 3.83142
108 2ZWA SAH 3.83142
109 2HIM ASN 3.83142
110 3B20 NAD 3.83142
111 1SC6 NAD 3.83142
112 1PL6 NAD 3.83142
113 2D2I NAP 3.83142
114 1PL6 572 3.83142
115 5JJR SAH 3.83142
116 1YS4 NAP 3.83142
117 3L4S NAD 3.83142
118 1M2W NAD 3.83142
119 2POC BG6 3.83142
120 3ORF NAD 3.98406
121 2WA2 SAM 3.98551
122 2VT3 ATP 4.18605
123 1T0I FMN 4.18848
124 4RUS NAG 4.20168
125 4R1S NAP 4.21456
126 6EL3 NAP 4.21456
127 5DF1 58X 4.21456
128 5DF1 NAP 4.21456
129 1DNP MHF 4.21456
130 5MPT SAH 4.21456
131 2PZM UDP 4.21456
132 2PZM NAD 4.21456
133 1ZQ9 SAM 4.21456
134 3I6I NDP 4.21456
135 1DSS NAD 4.21456
136 4ZFL 4NK 4.21456
137 3I8P 840 4.21456
138 6C4M NAP 4.21456
139 2WVZ KIF 4.21456
140 1F8G NAD 4.21456
141 4URS C2E 4.25532
142 4YEF 4CQ 4.49438
143 1UAY ADN 4.54545
144 5E8J SAH 4.54545
145 1GZ6 NAI 4.5977
146 5K4W NAI 4.5977
147 6BWL NAD 4.5977
148 5K4W THR 4.5977
149 1ORR NAD 4.5977
150 1WDK NAD 4.5977
151 6C4T NA7 4.5977
152 1RM4 NDP 4.5977
153 1NVT NAP 4.5977
154 1KYQ NAD 4.5977
155 2Q1S NAI 4.5977
156 1J0X NAD 4.5977
157 3C3Y SAH 4.64135
158 1WMA AB3 4.98084
159 1WMA NDP 4.98084
160 1ZBQ NAD 4.98084
161 1Z45 NAD 4.98084
162 1RPN NDP 4.98084
163 1I36 NAP 4.98084
164 4GK9 MAN BMA MAN MAN MAN 4.98084
165 5KVS NAP 4.98084
166 2EXX NAP 4.98084
167 3A06 NDP 4.98084
168 5Z49 RUB 5.02092
169 1HDR NAD 5.32787
170 4YAC NAI 5.36398
171 5MLR NAP 5.36398
172 5MLR GRQ 5.36398
173 1LTH NAD 5.36398
174 2C29 NAP 5.36398
175 3TDC 0EU 5.36398
176 2C29 DQH 5.36398
177 3EVG SAH 5.36398
178 6D6Y SAH 5.36398
179 1YJQ NAP 5.36398
180 2P41 SAH 5.36398
181 2VDV SAM 5.69106
182 2V6G NAP 5.74713
183 1VL0 NAI 5.74713
184 6C4N NAP 5.74713
185 3H8V ATP 5.74713
186 5L95 AMP 5.74713
187 1EBF NAD 5.74713
188 1DCP HBI 5.76923
189 5OFW 9TW 5.8296
190 3WMX NAD 6.13027
191 4PIV NDP 6.13027
192 1ZGA SAH 6.13027
193 2I3G NAP 6.13027
194 3FXU TSU 6.13027
195 2AG8 NAP 6.13027
196 3HQP FDP 6.13027
197 5BSH PRO 6.13027
198 3TN7 NJP 6.22568
199 1LSS NAD 6.42857
200 3A4V NAD 6.51341
201 3A4V PYR 6.51341
202 4ZRN NAD 6.51341
203 3TTM PUT 6.51341
204 1TI7 NAP 6.51341
205 4ZRN UPG 6.51341
206 2VUT NAD 6.51341
207 3CIF NAD 6.51341
208 3UBM COA 6.51341
209 3CIF G3H 6.51341
210 4DPL NAP 6.51341
211 2XVM SAH 6.53266
212 5N53 8NB 6.66667
213 1N7G NDP 6.89655
214 1N7G GDR 6.89655
215 4ZGS NAD 6.89655
216 4EKV BTN 6.91824
217 3KO8 NAD 7.27969
218 5Y1G NAD 7.27969
219 5Y1G AKB 7.27969
220 1R6D DAU 7.27969
221 1V8B ADN 7.27969
222 3R75 PYR 7.27969
223 5CX6 CDP 7.27969
224 5JE8 NAD 7.27969
225 1R6D NAD 7.27969
226 2PWY SAH 7.36434
227 3GD8 GOL 7.62332
228 2HMT NAI 7.63889
229 1N5D NDP 7.66284
230 1GY8 NAD 7.66284
231 6EGU 43Y 7.66284
232 5NM7 GLY 7.66284
233 5AOV GLV 7.66284
234 2VYN NAD 7.66284
235 1GAD NAD 7.66284
236 1LDN NAD 7.66284
237 5WQP NAP 7.69231
238 5WQP NCA 7.69231
239 5FI3 NAP 7.84314
240 1H5R G1P 8.04598
241 4G5H NAP 8.42912
242 4G5H UD7 8.42912
243 9LDT NAD 8.42912
244 9LDB NAD 8.42912
245 5UAV TFB 8.42912
246 4J1Q NDP 8.81226
247 2X6T NAP 8.81226
248 1EQ2 NAP 8.81226
249 1EK6 UPG 8.81226
250 1EK6 NAI 8.81226
251 1OC2 TDX 8.81226
252 1OC2 NAD 8.81226
253 1LDM NAD 8.81226
254 4M37 SAH 8.81226
255 4M38 SAH 8.81226
256 5ZZO FLC 8.95522
257 4RHS SIA SIA GAL 9.01639
258 5U6V 7WY 9.09091
259 3EXH TPP 9.1954
260 5KOK SAH 9.1954
261 5XWV 8H6 9.27419
262 5XWV NDP 9.27419
263 2YY7 NAD 9.57854
264 2QES ADE 9.57854
265 2G5C NAD 9.57854
266 3QV1 NAD 9.7561
267 1QK3 5GP 9.87124
268 5JAQ NAI 9.96169
269 5VRH OLC 9.96169
270 3GGO NAI 9.96169
271 1Y7P RIP 10.3139
272 2BKA NDP 10.3306
273 5L4L NAP 10.3448
274 4QM9 CYS 10.3448
275 1PJS NAD 10.3448
276 3G5S GSH 10.3448
277 5L4L 7OX 10.3448
278 4U5X GNP 10.6742
279 2F1K NAP 10.728
280 2DBZ NAP 10.728
281 6FDF SAH 11.1111
282 1NYT NAP 11.1111
283 1XSE NDP 11.4943
284 2Q1W NAD 11.4943
285 1CER NAD 11.4943
286 5THY SAH 11.8774
287 4RDH AMP 11.8774
288 5THZ SAH 11.8774
289 4LHD GLY 11.8774
290 4RDI ATP 11.8774
291 2BD0 NAP 11.8852
292 1SU2 ATP 11.9497
293 5YEC ATP 12.2605
294 4OEV OXL 12.6437
295 2RC8 DSN 12.6437
296 3RFV NAI 13.0268
297 5F5N NAD 13.0268
298 3RFV 15L 13.0268
299 2HJR APR 13.41
300 2HJR CIT 13.41
301 2DKN NAI 13.7255
302 1E3W NAD 13.7931
303 1E6W NAD 13.8462
304 5Z75 NAD 14.1762
305 3O26 NDP 14.1762
306 3SJU NDP 14.5594
307 1OAA OAA 14.6718
308 1HYH NAD 15.3257
309 6HKE LMR 15.3257
310 6HKE MLT 15.3257
311 3TKY SAH 15.7088
312 6AA8 NAD 16.092
313 4D79 ATP 16.3043
314 1NFQ NAI 16.5385
315 4NBT NAD 16.6667
316 4NBW NAD 17.5097
317 1X1T NAD 17.6923
318 2PK3 A2R 18.0077
319 3VZS NAP 18.2879
320 1FK8 NAD 18.2879
321 3VZS CAA 18.2879
322 1XG5 NAP 18.3908
323 5L4S NAP 18.7739
324 5L4S 6KX 18.7739
325 3GCZ SAM 19.1489
326 5L53 NAP 19.1571
327 2JL1 NAP 19.1571
328 4JP3 CIT 19.6653
329 4ZA2 NAD 19.7628
330 4EUE NAI 19.9234
331 4TQG NDP 19.9234
332 5TG5 JW8 20.4082
333 5EJ2 NAD 20.6897
334 1SNY NAP 21.0728
335 4FC7 COA 21.4559
336 4FC7 NAP 21.4559
337 1I2B UPG 21.8391
338 1I2B USQ 21.8391
339 1I2B NAD 21.8391
340 2OOR NAD 22.4138
341 4K26 NDP 22.6054
342 4K26 SFF 22.6054
343 3WXB NDP 24.1379
344 3GEG NAD 25.1012
345 3CH6 311 25.2874
346 3CH6 NAP 25.2874
347 2ZAT NAP 28.0769
348 2CFC NAD 30.4
349 4YAG NAI 31.0345
350 5BJX NAD 31.0345
351 5BJX UDP 31.0345
352 3U4C NDP 32.9502
353 5GWT NAD 33.3333
354 1IY8 NAD 33.3333
355 5GWT SIN 33.3333
356 2BGM NAJ 34.0996
357 2JAH NDP 34.413
358 2JAP NDP 35.2227
359 4QED NAP 35.4839
360 2GDZ NAD 36.0153
361 3RKR NAP 36.6412
362 4OSP NAP 37.5479
363 1ZK4 AC0 38.247
364 1ZK4 NAP 38.247
365 1GEG NAD 38.2812
366 2B4Q NAP 39.0805
367 1W73 NAP 39.404
368 1W8D NAP 39.404
369 4ITU NAI 39.4052
370 4ITU 1HS 39.4052
371 2RH4 EMO 39.4636
372 2Q2V NAD 39.6078
373 5O42 BGC 39.781
374 5O42 NAD 39.781
375 5O42 9JW 39.781
376 4O0L NDP 40.2299
377 4RF2 NAP 40.9962
378 1GEE NAD 40.9962
379 3V1U NAD 40.9962
380 4KWI NAP 40.9962
381 4KWI 1TJ 40.9962
382 3A28 NAD 41.0853
383 6CI9 NAP 41.3127
384 1W6U NAP 41.3793
385 1BDB NAD 41.3793
386 5WUW NAP 41.3793
387 4URF NAD 41.5323
388 5THQ NDP 41.7625
389 5G4L NDP 41.7625
390 5YSS NAD 41.7969
391 4CQM NAP 41.8033
392 2AE2 NAP 41.9231
393 2AE2 PTO 41.9231
394 6F9Q NAD 42.1456
395 5OJI NAP 42.3077
396 5OJI ISN 42.3077
397 3SJ7 NDP 42.4603
398 3NUG NAD 42.5101
399 3O03 NAP 42.5287
400 1ZEM NAD 42.5287
401 3AY6 NAI 42.5287
402 3AY6 BGC 42.5287
403 3ZV6 4HB 42.5287
404 3ZV6 NAD 42.5287
405 1JA9 NDP 42.7007
406 4NBU NAI 42.8
407 3JQA NAP 42.9119
408 5JDI NAP 42.9119
409 3BMO NAP 42.9119
410 3BMQ NAP 42.9119
411 4CM4 NAP 42.9119
412 4CM8 NAP 42.9119
413 3JQG NAP 42.9119
414 3JQ9 NAP 42.9119
415 3JQF NAP 42.9119
416 5JDC NAP 42.9119
417 2WD7 NAP 42.9119
418 5JCJ NAP 42.9119
419 3JQ8 NAP 42.9119
420 4CLO NAP 42.9119
421 4CMI NAP 42.9119
422 4CME NAP 42.9119
423 1G0N NDP 42.9119
424 1G0N PHH 42.9119
425 4CM9 NAP 42.9119
426 5K6A NAP 42.9119
427 3BMN NAP 42.9119
428 3H4V DVP 42.9119
429 3H4V NAP 42.9119
430 4CLR NAP 42.9119
431 2VZ0 NAP 42.9119
432 2VZ0 D64 42.9119
433 3JQB NAP 42.9119
434 3JQ7 NAP 42.9119
435 5K6A 6QT 42.9119
436 1HDC CBO 42.9134
437 1H5Q NAP 43.0189
438 5Z2L NDP 43.2653
439 1UZN NAP 43.3198
440 3QWI NAP 43.6782
441 5FEU NAP 43.6782
442 3QWI CUE 43.6782
443 1MXH DHF 43.6782
444 1MXH NAP 43.6782
445 1O5I NAD 43.7751
446 3AFN NAP 43.7985
447 3ICC NAP 43.9216
448 1XHL NDP 44.0613
449 2DTX BMA 44.0613
450 5OVK NDP 44.1406
451 5B4T NAD 44.2308
452 5B4T 3HR 44.2308
453 5FFF 5XC 44.358
454 5FFF NAP 44.358
455 1VL8 NAP 44.4444
456 1YXM ADE 44.4444
457 2AG5 NAD 45.122
458 1XKQ NDP 45.2107
459 1AE1 NAP 45.5939
460 5EPO NAP 46.3602
461 5EPO TUD 46.3602
462 4FN4 NAD 46.4567
463 1Q7B NAP 46.7213
464 2EWM NAD 47.3896
465 5T2U NAP 49.1936
466 3D3W NAP 49.5902
467 1PR9 NAP 49.5902
Pocket No.: 2; Query (leader) PDB : 1QG6; Ligand: NAD; Similar sites found with APoc: 25
This union binding pocket(no: 2) in the query (biounit: 1qg6.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5VL2 9EG None
2 4G86 BNT 0.766284
3 5N2I NAP 2.15517
4 5OM2 DXT 2.29885
5 5JJU AMP 3.06513
6 4J25 OGA 3.49345
7 1MLD CIT 3.83142
8 3G2Y GF4 4.21456
9 1DIG NAP 4.21456
10 1JCM 137 4.2471
11 3AB4 THR 4.49438
12 2FJK 13P 4.5977
13 3LE7 ADE 4.98084
14 1XVB BHL BHL 5.29412
15 5U9J GER 5.32544
16 2PCU ASP 5.36398
17 4OKD GLC GLC GLC 5.36398
18 5JH2 A2P 5.74713
19 1RJW ETF 5.74713
20 3WMX THR 6.13027
21 3HQP OXL 6.13027
22 1GPM AMP 8.42912
23 2DT9 THR 17.9641
24 2A19 ANP 18.2857
25 2AZC 3TL 25.2525
Pocket No.: 3; Query (leader) PDB : 1QG6; Ligand: TCL; Similar sites found with APoc: 449
This union binding pocket(no: 3) in the query (biounit: 1qg6.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5VL2 9EG None
2 4G86 BNT 0.766284
3 2UYQ SAM 1.14943
4 4PVD NDP 1.53257
5 4Y9D NAI 1.53257
6 1RJD SAM 1.53257
7 1KEW NAD 1.91571
8 1KEW TYD 1.91571
9 3O7W SAM 1.91571
10 3R4S SLB 1.91571
11 4XB2 NDP 1.91571
12 3H5N ATP 1.91571
13 2B4R AES 1.91571
14 5TC4 NAD 1.91571
15 2B4R NAD 1.91571
16 4KOA NDP 1.91571
17 5OOH NAP 1.94175
18 5OOH 9ZZ 1.94175
19 5N2I NAP 2.15517
20 3ABI NAD 2.29885
21 2C5A GDC 2.29885
22 2C5A NAD 2.29885
23 1BW9 NAD 2.29885
24 5H81 NAP 2.29885
25 1UDB NAD 2.29885
26 1UDB UFG 2.29885
27 3I7S PYR 2.29885
28 5OM2 DXT 2.29885
29 6GKV SAH 2.29885
30 6DNT NAD 2.68199
31 1BXK NAD 2.68199
32 4GLL NAD 2.68199
33 4E13 NAD 2.68199
34 1SB8 NAD 2.68199
35 1SB8 UD2 2.68199
36 4IX4 ADP 2.68199
37 3H9E NAD 2.68199
38 6CEP NAD 2.68199
39 6CMJ F6J 2.68199
40 2GZ3 NAP 2.68199
41 2Q46 NAP 2.7668
42 1Y1P NMN AMP PO4 2.92398
43 1Z6Z NAP 3.06513
44 4J7U NAP 3.06513
45 4HXY NDP 3.06513
46 4J7U YTZ 3.06513
47 5MSO NAP 3.06513
48 5GT9 NAP 3.06513
49 1RKX NAD 3.06513
50 2GN4 UD1 3.06513
51 2GN4 NDP 3.06513
52 1V6A TRE 3.06513
53 1WVG APR 3.06513
54 1E5Q NDP 3.06513
55 3B1F NAD 3.06513
56 4D3F NAP 3.06513
57 3FSY SCA 3.06513
58 2F5X ASP 3.06513
59 4OM8 NAD 3.06513
60 4RP9 ASC 3.06513
61 4B4U NAP 3.06513
62 4N49 SAM 3.06513
63 4O08 PO6 3.06513
64 1O6Z NAD 3.06513
65 4Z0H NAD 3.06513
66 3LKZ SFG 3.06513
67 5UR0 NAD 3.06513
68 5LD5 NAD 3.06513
69 5JJU AMP 3.06513
70 1KYZ SAH 3.06513
71 5ZZ6 ADP 3.36538
72 5ZZ6 NAD 3.36538
73 5O98 NAP 3.44828
74 1U7T NAD 3.44828
75 1U7T TDT 3.44828
76 1E7S NAP 3.44828
77 2FR1 NDP 3.44828
78 1A27 NAP 3.44828
79 3HB5 NAP 3.44828
80 3LU1 NAD 3.44828
81 2HK9 ATR 3.44828
82 3L9W AMP 3.44828
83 4U7W NDP 3.44828
84 1GV0 NAD 3.44828
85 1HYE NAP 3.44828
86 3V1Y NAD 3.44828
87 1GUZ NAD 3.44828
88 1OMO NAD 3.44828
89 4IVN BMX 3.44828
90 5OCM NAP 3.44828
91 4J25 OGA 3.49345
92 3RJ5 NAD 3.54331
93 5ZEC NAP 3.83142
94 5IN4 6CK 3.83142
95 5IN4 GDP 3.83142
96 5IN4 NAP 3.83142
97 1MLD CIT 3.83142
98 2G2Y MLI 3.83142
99 1A99 PUT 3.83142
100 2ZWA SAH 3.83142
101 5OJL TXP 3.83142
102 2HIM ASN 3.83142
103 3B20 NAD 3.83142
104 1SC6 NAD 3.83142
105 1PL6 NAD 3.83142
106 1PL6 572 3.83142
107 2D2I NAP 3.83142
108 3L4S NAD 3.83142
109 1M2W NAD 3.83142
110 5JJR SAH 3.83142
111 1YS4 NAP 3.83142
112 3ORF NAD 3.98406
113 2WA2 SAM 3.98551
114 2VT3 ATP 4.18605
115 1T0I FMN 4.18848
116 4R1S NAP 4.21456
117 6EL3 NAP 4.21456
118 5DF1 NAP 4.21456
119 5DF1 58X 4.21456
120 1DNP MHF 4.21456
121 5MPT SAH 4.21456
122 2PZM NAD 4.21456
123 2PZM UDP 4.21456
124 3G2Y GF4 4.21456
125 1ZQ9 SAM 4.21456
126 3I6I NDP 4.21456
127 1DIG NAP 4.21456
128 1DSS NAD 4.21456
129 6C4M NAP 4.21456
130 2WVZ KIF 4.21456
131 1F8G NAD 4.21456
132 4ZFL 4NK 4.21456
133 1JCM 137 4.2471
134 4URS C2E 4.25532
135 3AB4 THR 4.49438
136 1UAY ADN 4.54545
137 5E8J SAH 4.54545
138 1GZ6 NAI 4.5977
139 5K4W NAI 4.5977
140 6BWL NAD 4.5977
141 5K4W THR 4.5977
142 1ORR NAD 4.5977
143 6C4T NA7 4.5977
144 2FJK 13P 4.5977
145 1WDK NAD 4.5977
146 1NVT NAP 4.5977
147 1RM4 NDP 4.5977
148 1KYQ NAD 4.5977
149 1J0X NAD 4.5977
150 2Q1S NAI 4.5977
151 1ZBQ NAD 4.98084
152 1WMA NDP 4.98084
153 1WMA AB3 4.98084
154 1Z45 NAD 4.98084
155 1RPN NDP 4.98084
156 4GK9 MAN BMA MAN MAN MAN 4.98084
157 1I36 NAP 4.98084
158 3LE7 ADE 4.98084
159 5KVS NAP 4.98084
160 3A06 NDP 4.98084
161 1XVB BHL BHL 5.29412
162 5U9J GER 5.32544
163 1HDR NAD 5.32787
164 4YAC NAI 5.36398
165 5MLR NAP 5.36398
166 5MLR GRQ 5.36398
167 2PCU ASP 5.36398
168 1LTH NAD 5.36398
169 3TDC 0EU 5.36398
170 2C29 NAP 5.36398
171 2C29 DQH 5.36398
172 3EVG SAH 5.36398
173 6D6Y SAH 5.36398
174 4OKD GLC GLC GLC 5.36398
175 1YJQ NAP 5.36398
176 2P41 SAH 5.36398
177 2V6G NAP 5.74713
178 6C4N NAP 5.74713
179 5JH2 A2P 5.74713
180 1VL0 NAI 5.74713
181 3H8V ATP 5.74713
182 5L95 AMP 5.74713
183 1RJW ETF 5.74713
184 1EBF NAD 5.74713
185 5OFW 9TW 5.8296
186 3WMX NAD 6.13027
187 4PIV NDP 6.13027
188 3WMX THR 6.13027
189 1ZGA SAH 6.13027
190 2I3G NAP 6.13027
191 2AG8 NAP 6.13027
192 3HQP OXL 6.13027
193 5BSH PRO 6.13027
194 3TN7 NJP 6.22568
195 1LSS NAD 6.42857
196 3A4V PYR 6.51341
197 3A4V NAD 6.51341
198 4ZRN NAD 6.51341
199 3TTM PUT 6.51341
200 2VUT NAD 6.51341
201 4ZRN UPG 6.51341
202 1TI7 NAP 6.51341
203 3CIF NAD 6.51341
204 3CIF G3H 6.51341
205 4DPL NAP 6.51341
206 2XVM SAH 6.53266
207 5N53 8NB 6.66667
208 1N7G NDP 6.89655
209 1N7G GDR 6.89655
210 4ZGS NAD 6.89655
211 3KO8 NAD 7.27969
212 5Y1G NAD 7.27969
213 5Y1G AKB 7.27969
214 1R6D DAU 7.27969
215 5CX6 CDP 7.27969
216 1V8B ADN 7.27969
217 3R75 PYR 7.27969
218 1R6D NAD 7.27969
219 5JE8 NAD 7.27969
220 2HMT NAI 7.63889
221 1N5D NDP 7.66284
222 1GY8 NAD 7.66284
223 6EGU 43Y 7.66284
224 5NM7 GLY 7.66284
225 2VYN NAD 7.66284
226 1LDN NAD 7.66284
227 1GAD NAD 7.66284
228 5WQP NAP 7.69231
229 5WQP NCA 7.69231
230 5FI3 NAP 7.84314
231 1H5R G1P 8.04598
232 4G5H NAP 8.42912
233 1GPM