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Receptor
PDB id Resolution Class Description Source Keywords
1N92 1.47 Å EC: 1.1.1.1 HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH NAD+ AND 4- IODOPYRAZOLE EQUUS CABALLUS DEHYDROGENASE ALCOHOL NICOTINAMIDE COENZYME 4- IODOPYRAZOLE OXIDOREDUCTASE
Ref.: AMINO ACID RESIDUES IN THE NICOTINAMIDE BINDING SITE CONTRIBUTE TO CATALYSIS BY HORSE LIVER ALCOHOL DEHYDROGENASE BIOCHEMISTRY V. 42 2907 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MPD A:601;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NAJ PYZ A:377;
B:377;
Valid;
Valid;
none;
none;
Ki = 0.02 uM
855.389 n/a Ic1cn...
ZN A:375;
A:376;
B:375;
B:376;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JHF 1 Å EC: 1.1.1.1 STRUCTURAL EVIDENCE FOR A LIGAND COORDINATION SWITCH IN LIVER ALCOHOL DEHYDROGENASE EQUUS CABALLUS OXIDOREDUCTASE METAL COORDINATION NAD ZINC INHIBITION ACETYLATION METAL-BINDING ALCOHOL DEHYDROGENASE
Ref.: STRUCTURAL EVIDENCE FOR A LIGAND COORDINATION SWITCH IN LIVER ALCOHOL DEHYDROGENASE BIOCHEMISTRY V. 46 5446 2007
Members (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
3 2JHG - NAD IBO n/a n/a
4 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
5 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
6 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 1N8K - NAJ PZO n/a n/a
9 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
12 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
13 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
14 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
15 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
17 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
19 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
20 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
26 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
27 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
28 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
29 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
32 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
35 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
37 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
8 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
9 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1N8K - NAJ PZO n/a n/a
12 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
15 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
16 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
17 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
18 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
20 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
23 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
31 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
32 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
33 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
35 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
38 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
40 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
48 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
50 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
52 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
53 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
56 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
59 1HDX - CXL C6 H12 O C1CCC(CC1)....
60 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
62 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 1E3I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1JU9 Ki = 1640 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5VN1 Ki = 5.4 uM NWH C8 H17 N O CCCCC[C@H]....
6 2JHG - NAD IBO n/a n/a
7 6CY3 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
8 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
9 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1N8K - NAJ PZO n/a n/a
12 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
15 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
16 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
17 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
18 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
20 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
23 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
30 6CXX - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
31 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
32 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
33 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
35 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
38 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
40 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
48 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
50 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
52 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
53 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
56 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
59 1HDX - CXL C6 H12 O C1CCC(CC1)....
60 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
62 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAJ PYZ; Similar ligands found: 171
No: Ligand ECFP6 Tc MDL keys Tc
1 NAJ PYZ 1 1
2 NAJ PZO 0.82906 0.95
3 80F 0.577778 0.829545
4 NAI 0.573643 0.890244
5 ADP PO3 0.570175 0.85
6 EAD 0.556338 0.858824
7 NMN AMP PO4 0.551471 0.925
8 AP0 0.541353 0.857143
9 P1H 0.541096 0.83908
10 ADP ALF 0.537815 0.833333
11 ALF ADP 0.537815 0.833333
12 ADP VO4 0.533333 0.819277
13 VO4 ADP 0.533333 0.819277
14 ADP BMA 0.52 0.831325
15 TDT 0.517647 0.791667
16 DAL AMP 0.512195 0.841463
17 AF3 ADP 3PG 0.511111 0.825581
18 GAP 0.508333 0.831325
19 NAX 0.503704 0.858824
20 ATP A A A 0.5 0.8625
21 A2D 0.5 0.829268
22 AHZ 0.5 0.766667
23 AR6 AR6 0.496241 0.851852
24 6V0 0.492647 0.879518
25 TYR AMP 0.492424 0.833333
26 BA3 0.491379 0.829268
27 TXE 0.489051 0.845238
28 AP5 0.487179 0.829268
29 ADP 0.487179 0.807229
30 B4P 0.487179 0.829268
31 AMP NAD 0.485915 0.864198
32 MYR AMP 0.484615 0.766667
33 AN2 0.483051 0.819277
34 TXD 0.481752 0.823529
35 CA0 0.478992 0.809524
36 1DG 0.47651 0.879518
37 DG1 0.47651 0.879518
38 NAE 0.47619 0.833333
39 0WD 0.475524 0.879518
40 4TA 0.475524 0.860465
41 NAD 0.475524 0.864198
42 ATP 0.475 0.807229
43 HEJ 0.475 0.807229
44 ARG AMP 0.474074 0.758242
45 A 0.473684 0.804878
46 AMP 0.473684 0.804878
47 NAQ 0.472973 0.813953
48 SRP 0.472 0.8
49 AQP 0.471074 0.807229
50 PRX 0.471074 0.767442
51 AR6 0.471074 0.807229
52 5FA 0.471074 0.807229
53 APR 0.471074 0.807229
54 AT4 0.470588 0.77907
55 A1R 0.46875 0.761364
56 4AD 0.46875 0.811765
57 5AL 0.467742 0.819277
58 AD9 0.467213 0.788235
59 AGS 0.467213 0.770115
60 SAP 0.467213 0.770115
61 M33 0.466667 0.797619
62 ADX 0.466667 0.736264
63 NDP 0.464789 0.879518
64 ADJ 0.464789 0.797753
65 50T 0.46281 0.776471
66 ACP 0.46281 0.788235
67 ABM 0.461538 0.785714
68 8QN 0.460938 0.819277
69 UP5 0.460432 0.855422
70 ANP 0.459677 0.809524
71 ACQ 0.459677 0.788235
72 A3D 0.458904 0.853659
73 A A 0.458015 0.829268
74 AMO 0.457364 0.8
75 Z5A 0.456954 0.873563
76 NDC 0.455128 0.813953
77 4TC 0.453901 0.835294
78 AHX 0.453846 0.793103
79 AP2 0.453782 0.77907
80 A12 0.453782 0.77907
81 LPA AMP 0.453237 0.766667
82 A22 0.453125 0.819277
83 9X8 0.450382 0.770115
84 OAD 0.450382 0.809524
85 ZID 0.450331 0.853659
86 9ZD 0.449612 0.802326
87 9ZA 0.449612 0.802326
88 6YZ 0.448819 0.788235
89 T99 0.448 0.77907
90 TAT 0.448 0.77907
91 9SN 0.447761 0.857143
92 APC 0.447154 0.77907
93 SON 0.446281 0.8
94 PAJ 0.446154 0.764045
95 A3R 0.446154 0.761364
96 ADQ 0.446154 0.809524
97 SRA 0.444444 0.767442
98 3OD 0.443609 0.809524
99 NB8 0.443609 0.793103
100 00A 0.442748 0.86747
101 AU1 0.442623 0.809524
102 ATF 0.440945 0.821429
103 3UK 0.439394 0.831325
104 DQV 0.438849 0.841463
105 OOB 0.438462 0.841463
106 5SV 0.438462 0.733333
107 LAD 0.43609 0.764045
108 WAQ 0.43609 0.781609
109 PR8 0.43609 0.755556
110 B5M 0.433824 0.811765
111 NDE 0.433121 0.843373
112 1ZZ 0.432836 0.747253
113 ME8 0.432836 0.747253
114 PTJ 0.432836 0.772727
115 48N 0.432624 0.772727
116 ADV 0.432 0.77907
117 RBY 0.432 0.77907
118 DLL 0.431818 0.841463
119 7MD 0.431655 0.766667
120 MAP 0.430769 0.790698
121 25L 0.42963 0.819277
122 DND 0.429577 0.843373
123 NXX 0.429577 0.843373
124 PO4 PO4 A A A A PO4 0.428571 0.8375
125 4UV 0.427536 0.878049
126 AMP DBH 0.427536 0.809524
127 25A 0.427481 0.829268
128 U A 0.426667 0.86747
129 5AS 0.42623 0.697917
130 B5V 0.425373 0.821429
131 YAP 0.423358 0.811765
132 FA5 0.423358 0.821429
133 TXA 0.422222 0.8
134 NZQ 0.421769 0.869048
135 AFH 0.421429 0.825581
136 A U 0.42069 0.878049
137 G5A 0.417323 0.715789
138 N01 0.417219 0.864198
139 A C A C 0.417219 0.857143
140 OMR 0.416667 0.73913
141 T5A 0.414966 0.829545
142 YLC 0.413793 0.766667
143 7MC 0.413793 0.75
144 B5Y 0.413043 0.811765
145 YLP 0.412587 0.731183
146 AYB 0.412162 0.723404
147 CNA 0.412162 0.843373
148 BIS 0.411765 0.802326
149 LMS 0.411765 0.736264
150 4UU 0.411348 0.878049
151 XAH 0.410072 0.766667
152 F2R 0.409396 0.731183
153 TAD 0.408451 0.764045
154 U A C C 0.407895 0.86747
155 LEU LMS 0.407407 0.71134
156 TYM 0.406897 0.821429
157 LAQ 0.405594 0.747253
158 NPW 0.405405 0.848837
159 139 0.405405 0.816092
160 YLA 0.405405 0.75
161 G3A 0.404255 0.793103
162 UPA 0.40411 0.845238
163 YLB 0.40411 0.731183
164 NSS 0.402985 0.734043
165 FYA 0.40146 0.797619
166 G5P 0.401408 0.793103
167 A4P 0.401361 0.791209
168 FAD NBT 0.401163 0.762887
169 FAD CNX 0.4 0.722772
170 NVA LMS 0.4 0.71134
171 4UW 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found with APoc: 625
This union binding pocket(no: 1) in the query (biounit: 2jhf.bio1) has 193 residues
No: Leader PDB Ligand Sequence Similarity
1 5EOW FAD 1.06952
2 1J5P NAD 1.18577
3 2QA1 FAD 1.3369
4 1YS4 NAP 1.41243
5 4XB2 NDP 1.49254
6 4XB2 HSE 1.49254
7 1J0X NAD 1.50602
8 1T26 NAI 1.5528
9 1T26 GBD 1.5528
10 2A92 NAI 1.55763
11 4UP3 NDP 1.59236
12 4ZGS NAD 1.60428
13 1KJ8 GAR 1.60428
14 3A06 NDP 1.60428
15 5YAP NAI 1.60428
16 5YAP 8S0 1.60428
17 4EUE NAI 1.60428
18 2ZXI FAD 1.60428
19 2PV7 NAD 1.67785
20 6DNT NAD 1.74419
21 3V1Y NAD 1.78042
22 5T9E NAP 1.84502
23 4R5M NAP 1.87166
24 4R5M 4NO 1.87166
25 3KLJ FAD 1.87166
26 1Z45 NAD 1.87166
27 1H9A NAP 1.87166
28 4U7W NDP 1.87166
29 1A5Z NAD 1.88088
30 3VPH NAD 1.93548
31 3VPH OXM 1.93548
32 3OID NDP 1.93798
33 3M6W SAM 1.93966
34 4OM8 NAD 1.94175
35 1BXK NAD 1.97183
36 1YJQ NAP 1.9802
37 1X7D NAD 2
38 1X7D ORN 2
39 1ORR NAD 2.01729
40 1N5D NDP 2.08333
41 1LUA NAP 2.09059
42 1ZQ9 SAM 2.10526
43 6GAS FAD 2.1148
44 2HJR APR 2.13415
45 2ZJ1 NAD 2.13904
46 2ZJ1 ARJ 2.13904
47 5KOD IAC 2.13904
48 1XHC FAD 2.17984
49 4O0L NDP 2.18182
50 1LTH NAD 2.19436
51 2QZZ NAP 2.20126
52 2QZZ EMF 2.20126
53 1P77 ATR 2.20588
54 5T9F TYR 2.21402
55 5T9F NAP 2.21402
56 1HYE NAP 2.23642
57 3T7S SAM 2.23881
58 3O9Z AKG 2.24359
59 3O9Z NAD 2.24359
60 4D3F NAP 2.25806
61 5NII FAD 2.26537
62 4R1S NAP 2.37389
63 1VL0 NAI 2.39726
64 2CFC NAD 2.4
65 4PIV NDP 2.40642
66 3GD4 NAD 2.40642
67 5TUK FAD 2.40642
68 1PGP 6PG 2.40642
69 3FG2 FAD 2.40642
70 4RSL FAD 2.40642
71 4KVL PLM 2.41546
72 5T2U NAP 2.41935
73 5XNC MTA 2.42588
74 4RDH AMP 2.43056
75 4RDI ATP 2.43056
76 2BD0 NAP 2.45902
77 1SAY PYR 2.49307
78 5LD5 NAD 2.51397
79 5KVA SAM 2.51799
80 1BDB NAD 2.52708
81 1U1I NAD 2.55102
82 5KKA 6V0 2.5641
83 1DRV A3D 2.5641
84 5WQP NAP 2.5641
85 1GV0 NAD 2.58065
86 1UXG FUM 2.589
87 1UXG NAD 2.589
88 1IY8 NAD 2.62172
89 3RFV NAI 2.62172
90 3RFV 15L 2.62172
91 1RM4 NDP 2.67062
92 5EPO NAP 2.67176
93 1PJS NAD 2.6738
94 1SC6 NAD 2.6738
95 1UP7 NAD 2.6738
96 1U8X NAD 2.6738
97 4HXY NDP 2.6738
98 2IXB NAD 2.6738
99 2PK3 A2R 2.6738
100 3FWN ATR 2.6738
101 5MQ6 NDP 2.6738
102 2IXB A2G 2.6738
103 6AIN FAD 2.6738
104 4OOE NDP 2.6738
105 4OOE FOM 2.6738
106 5AHO TLA 2.67857
107 5OJL TXP 2.68456
108 6CEP NAD 2.69461
109 6CEP OXM 2.69461
110 1TB4 PEJ 2.69542
111 2GLX NDP 2.71084
112 3TN7 NJP 2.72374
113 5Z75 NAD 2.75229
114 3B1F NAD 2.75862
115 5F5N NAD 2.76817
116 2D5A COA 2.77778
117 3H4V NAP 2.77778
118 3DAG FEG 2.7933
119 1G0N NDP 2.82686
120 3OA2 NAD 2.83019
121 5U5N NAD 2.86738
122 3SJU NDP 2.86738
123 1EDO NAP 2.86885
124 4JJF FE9 2.90698
125 4JJF N2I 2.90698
126 1JA9 NDP 2.91971
127 1Y1P NMN AMP PO4 2.92398
128 6C4N NAP 2.94118
129 6F3M NAD 2.94118
130 1DIG NAP 2.94118
131 1F8G NAD 2.94118
132 1ZH8 NAP 2.94118
133 4XWT U5P 2.94118
134 1DIG L37 2.94118
135 3L9W AMP 2.94118
136 2GVC FAD 2.94118
137 3L9W GSH 2.94118
138 5GSN NAP 2.94118
139 5X68 FAD 2.94118
140 2GV8 NDP 2.94118
141 1VQW FAD 2.94118
142 2GV8 FAD 2.94118
143 5GSN FAD 2.94118
144 3V1U NAD 2.94118
145 3ETG NDP 2.94118
146 3ETG GLU 2.94118
147 3WQQ NDP 2.94118
148 3WQQ IB3 2.94118
149 5WGR FAD 2.94118
150 1RPN NDP 2.94118
151 5A04 BGC 2.94985
152 5A04 NDP 2.94985
153 5L4L NAP 2.96053
154 2DC1 NAD 2.9661
155 2C29 NAP 2.96736
156 1O6Z NAD 2.9703
157 5D4V SAH 2.98507
158 3BAZ NAP 3.003
159 4KOA NDP 3.003
160 5LOG SAH 3.00429
161 1CER NAD 3.02115
162 5GT9 NAP 3.04183
163 4XZ3 COA 3.04348
164 1SOW NAD 3.04878
165 4YCA NDP 3.06122
166 6CI9 NAP 3.0888
167 5OCM NAP 3.09278
168 5FFF NAP 3.11284
169 4NBW NAD 3.11284
170 3C1O NAP 3.11526
171 2NU8 COA 3.125
172 2DKN NAI 3.13725
173 5UR0 NAD 3.15186
174 3H9E NAD 3.17919
175 3I6I NDP 3.17919
176 4E13 NAD 3.18021
177 2CDU ADP 3.20856
178 1GQ2 NAP 3.20856
179 6C4T NA7 3.20856
180 1VJT NAD 3.20856
181 2NVK NAP 3.20856
182 4XQC NAD 3.20856
183 2NAD NAD 3.20856
184 1CZA G6P 3.20856
185 1L7E NAI 3.20856
186 1QMG APX 3.20856
187 4XQC 13D 3.20856
188 5VN0 NAI 3.20856
189 6EL3 NAP 3.20856
190 1P31 EPU 3.20856
191 2CDU FAD 3.20856
192 3GMB FAD 3.20856
193 5VN0 FAD 3.20856
194 5A96 GTP 3.21285
195 3ITJ CIT 3.25444
196 1GR0 NAD 3.26975
197 5CG1 NAD BBN 3.27869
198 5DN9 NAD 3.2967
199 2BKA NDP 3.30579
200 6AA8 NAD 3.31126
201 1B8U NAD 3.34347
202 1B8U OAA 3.34347
203 2HNK SAH 3.34728
204 1XHL NDP 3.367
205 1VL8 NAP 3.37079
206 5Y8L NAD 3.38983
207 5Y8L HUI 3.38983
208 1XCL SAH 3.40426
209 1NM5 NAD 3.44828
210 2CUL FAD 3.44828
211 1LJ8 NAD 3.47594
212 1M2W NAD 3.47594
213 6A3J NAI 3.47594
214 6F7L FAD 3.47594
215 3AXB FAD 3.47594
216 6A3J SOE 3.47594
217 5ZI2 NAD 3.47826
218 5ZI2 ADP 3.47826
219 4XYM COA 3.47826
220 1LDN NAD 3.48101
221 1NVT NAP 3.48432
222 5YU3 NAD 3.48837
223 5YU3 PRO 3.48837
224 3OJF NDP 3.50195
225 2Q46 NAP 3.55731
226 3KB6 NAD 3.59281
227 3LZW FAD 3.61446
228 5Z21 NAI 3.63128
229 3WMX NAD 3.63128
230 5U5G NAP 3.72881
231 3ICS ADP 3.74332
232 3ICT ADP 3.74332
233 3K5I AIR 3.74332
234 1OBB NAD 3.74332
235 1X14 NAD 3.74332
236 2GSD NAD 3.74332
237 5Y77 FAD 3.74332
238 2RGJ FAD 3.74332
239 1GY8 NAD 3.74332
240 5WP5 SAH 3.74332
241 2P6W FLC 3.75587
242 5Z20 NAI 3.76812
243 1JAY NAP 3.77358
244 1H5Q NAP 3.77358
245 4OSP NAP 3.80228
246 2AE2 PTO 3.84615
247 2AE2 NAP 3.84615
248 3L4S NAD 3.86905
249 3L4S 3PG 3.86905
250 1L5Y BEF 3.87097
251 3CBG SAH 3.87931
252 3AB1 FAD 3.88889
253 1GEG NAD 3.90625
254 6A0S NDP 3.91566
255 6A0S HSE 3.91566
256 5N5D SAM 3.9823
257 4TSK NDP 4
258 3RC1 TLO 4
259 5TUF FAD 4.01069
260 3Q3C NAD 4.01338
261 1P1C SAH 4.0201
262 2OOR NAD 4.02299
263 5K4W NAI 4.04984
264 5K4W THR 4.04984
265 1NYT NAP 4.05904
266 2QRK AMP 4.06091
267 5O98 NAP 4.10095
268 2GDZ NAD 4.11985
269 1CF2 NAP 4.1543
270 1K3T BRZ 4.17827
271 1HKU NAD 4.18994
272 1GUZ NAD 4.19355
273 1J49 NAD 4.2042
274 2ZAT NAP 4.23077
275 5LNE A2G GAL 4.26829
276 4A0S NAP 4.27807
277 2O4C NAD 4.27807
278 5KVS NAP 4.27807
279 2Y6Q FAD 4.27807
280 5KVS 6XR 4.27807
281 4LGY ADP 4.27807
282 3FPZ AHZ 4.29448
283 5GWT NAD 4.31655
284 5GWT SIN 4.31655
285 4TQG NDP 4.33437
286 4Q9N NAI 4.36242
287 2V6G NAP 4.3956
288 1EJ0 SAM 4.44444
289 4MDH NAD 4.49102
290 2CVZ NDP 4.49827
291 5MDH NAD 4.5045
292 1LVL NAD 4.54545
293 2FR1 NDP 4.54545
294 2JHP SAH 4.54545
295 3M89 GSP 4.54545
296 1RYD NDP 4.54545
297 3SSO SAH 4.54545
298 1H6C NDP 4.54545
299 2XVF FAD 4.54545
300 1UWK URO 4.54545
301 1UWK NAD 4.54545
302 5BRT FAD 4.54545
303 3WBF NAP 4.59016
304 3WBF API 4.59016
305 1E3W NAD 4.5977
306 1U7T NAD 4.5977
307 4XYB NDP 4.60358
308 5X9D 80F 4.60526
309 1E6W NAD 4.61538
310 3A28 NAD 4.65116
311 2F1K NAP 4.6595
312 4D79 ATP 4.71014
313 4RL4 PPV 4.71698
314 5N2I NAP 4.74138
315 5O4J 9KH 4.74453
316 5O4J SAH 4.74453
317 5O4J PJL 4.74453
318 2IZ1 ATR 4.81283
319 2VHW NAI 4.81283
320 1E5Q NDP 4.81283
321 1YKJ FAD 4.81283
322 3G89 SAM 4.81928
323 4ITU NAI 4.83271
324 6BQ6 TER 4.83384
325 1WP4 NDP 4.84429
326 2GCG NDP 4.84848
327 1HYH NAD 4.85437
328 1LDM NAD 4.86322
329 2JL1 NAP 4.87805
330 5XVH NAP 4.90196
331 5YEC ATP 5.04202
332 4L8V NAP 5.04451
333 3WV8 ATP 5.04587
334 3A4V PYR 5.04732
335 3A4V NAD 5.04732
336 5BSH PRO 5.05415
337 2DKH FAD 5.08021
338 3JQ7 NAP 5.08021
339 5JDC NAP 5.08021
340 5K6A NAP 5.08021
341 1X87 NAD 5.08167
342 4Z0H NAD 5.08982
343 1V6A TRE 5.12048
344 9LDT NAD 5.12048
345 9LDB NAD 5.12048
346 1AE1 NAP 5.12821
347 3QWI NAP 5.18518
348 3VYW SAM 5.19481
349 3AY6 NAI 5.20446
350 2YYY NAP 5.24781
351 1WVG APR 5.29248
352 1F06 NDP 5.3125
353 1F06 2NP 5.3125
354 5N6C NAD 5.33333
355 1GZ4 ATP 5.34759
356 5UAV NDP 5.34759
357 5UAV TFB 5.34759
358 1Y8Q ATP 5.34759
359 4TXI FAD 5.34759
360 2BRY FAD 5.34759
361 5GUD NDP 5.34759
362 5GUD 2IT 5.34759
363 2Q1W NAD 5.34759
364 3NGL NAP 5.43478
365 2GZ3 NAP 5.46448
366 3LU1 NAD 5.49451
367 3CIF NAD 5.57103
368 3CIF G3H 5.57103
369 1EBF NAD 5.58659
370 4NBU NAI 5.6
371 5E4R NAP 5.61497
372 4ZVV GN0 5.61497
373 4ZVV NAD 5.61497
374 5MSO NAP 5.61497
375 4CJX NAP 5.64263
376 3U4C NDP 5.69395
377 4KQW NAP 5.71429
378 5Z2L NDP 5.71429
379 6FHO FAD 5.76441
380 4IF4 BEF 5.76923
381 2Q0L NAP 5.78778
382 2B4Q NAP 5.7971
383 1KYQ NAD 5.83942
384 1PS9 NAP 5.88235
385 6C4M NAP 5.88235
386 2FB3 MET 5.88235
387 2FB3 5AD 5.88235
388 5G3U FDA 5.88235
389 1E7S NAP 5.919
390 3H5N ATP 5.94901
391 3OIG NAD 6.01504
392 3ABI NAD 6.0274
393 2B4R AES 6.08696
394 2B4R NAD 6.08696
395 5X20 NAD 6.08974
396 1ZBQ NAD 6.11621
397 4DPL NAP 6.12813
398 1HDR NAD 6.14754
399 4YT4 FE9 6.14973
400 3JQA NAP 6.14973
401 4CM8 NAP 6.14973
402 3BMO NAP 6.14973
403 4CM4 NAP 6.14973
404 3BMQ NAP 6.14973
405 3JQF NAP 6.14973
406 5JDI NAP 6.14973
407 4CMI NAP 6.14973
408 3JQB NAP 6.14973
409 4CLO NAP 6.14973
410 4CME NAP 6.14973
411 4CLR NAP 6.14973
412 5JCJ NAP 6.14973
413 3JQG NAP 6.14973
414 3JQ9 NAP 6.14973
415 3JQ8 NAP 6.14973
416 3BMN NAP 6.14973
417 4CM9 NAP 6.14973
418 5W3K 9TY 6.17647
419 5W3K NDP 6.17647
420 1OMO NAD 6.21118
421 4Y9D NAI 6.22951
422 2HMT NAI 6.25
423 4RF2 NAP 6.25
424 4NBT NAD 6.25
425 4B4U NAP 6.27063
426 1VI2 NAD 6.33333
427 1V8B NAD 6.41711
428 3NJ4 NAD 6.41711
429 4J1Q NDP 6.41711
430 1C3V NDP 6.53061
431 4CQM NAP 6.55738
432 4JK3 NAD 6.56371
433 4J4H 1J1 6.56371
434 4J4H NAI 6.56371
435 4BVA NDP 6.56716
436 4BVA T3 6.56716
437 4YAG NAI 6.57439
438 1NPD NAD 6.59722
439 1WDK NAD 6.68449
440 5M67 3D1 6.68449
441 5M67 NAD 6.68449
442 5M67 ADE 6.68449
443 4XDZ NDP 6.70554
444 5CAE COA 6.70927
445 5CAE SIN 6.70927
446 1FWV SGA MAG FUC 6.71642
447 5ZZ6 ADP 6.73077
448 5ZZ6 NAD 6.73077
449 5A1T NAI 6.74487
450 5A1T OXM 6.74487
451 4MP8 NAD 6.78466
452 4MP8 MLI 6.78466
453 5AYV NAP 6.79612
454 5AYV KPL 6.79612
455 4URF NAD 6.85484
456 5FEU NAP 6.87285
457 1HDG NAD 6.92771
458 4K5S FAD 6.95187
459 5JE8 NAD 6.95364
460 2FKA BEF 6.97674
461 5DP2 NAP 7.01754
462 3FGZ BEF 7.03125
463 1RP0 AHZ 7.04225
464 4FN4 NAD 7.08661
465 6GAR FAD 7.16332
466 3WXB NDP 7.16846
467 3ORF NAD 7.17131
468 1DJN ADP 7.21925
469 3IHG FAD 7.21925
470 1RM0 NAI 7.21925
471 1RM0 D6P 7.21925
472 4E5N NAD 7.27273
473 5TC4 NAD 7.27848
474 6BWL NAD 7.31707
475 2YVJ NAI 7.33945
476 2CVQ NDP 7.33945
477 4XDY NAI 7.39645
478 5NMX FAD 7.48663
479 4YSX FAD 7.48663
480 1W8D NAP 7.61589
481 1W73 NAP 7.61589
482 1EQ2 NAP 7.74194
483 4CT7 TRP 7.77778
484 4PLG NAI 7.78443
485 4PLG OXM 7.78443
486 1GZ6 NAI 7.83699
487 1UAY ADN 7.85124
488 4CS9 AMP 7.93651
489 5ZW3 SAH 8
490 4ZRN NAD 8.01282
491 1VKO NAD 8.02139
492 5THQ NDP 8.08823
493 1EZ4 NAD 8.1761
494 1XKQ NDP 8.21429
495 2I3G NAP 8.23864
496 1W6U NAP 8.27815
497 1I36 NAP 8.33333
498 4PLT NAI 8.45921
499 4PLT OXM 8.45921
500 3OND ADN 8.55615
501 3OND NAD 8.55615
502 3S5W NAP 8.55615
503 3S5W FAD 8.55615
504 2IVD FAD 8.55615
505 3CGB FAD 8.55615
506 2WD7 NAP 8.58209
507 3O03 NAP 8.59107
508 1WPQ NAD 8.59599
509 3GGO ENO 8.59873
510 3GGO NAI 8.59873
511 5G4L NDP 8.74126
512 1N1G BCP 8.74317
513 3GRU AMP 8.81356
514 3OJO NAD 8.82353
515 2JAP NDP 8.90688
516 1O94 ADP 9.09091
517 3ULK NDP 9.09091
518 4EA7 COA 9.09091
519 4EA7 JB2 9.09091
520 5AOV NAP 9.22619
521 2G5C NAD 9.25267
522 2DBZ NAP 9.28144
523 6BII NAP 9.30931
524 1MV8 NAD 9.35829
525 1MUU NAD 9.35829
526 3GDH SAH 9.54357
527 2AG8 NAP 9.88593
528 5EES NAP 10.1215
529 3NUG NAD 10.1215
530 1N9G NAP 10.1604
531 4WAS COO 10.1648
532 4WAS NAP 10.1648
533 2X6T NAP 10.3641
534 5OJI NAP 10.3846
535 5OJI ISN 10.3846
536 2DT5 NAD 10.4265
537 1V59 NAD 10.4278
538 2D2I NAP 10.4278
539 1FK8 NAD 10.5058
540 2WSB NAD 10.6299
541 1PR9 NAP 11.0656
542 3D3W NAP 11.0656
543 1NFQ NAI 11.1538
544 3EGI ADP 11.165
545 2B5W NAP 11.2045
546 3B20 NAD 11.2094
547 3B1J NAD 11.2094
548 1BW9 NAD 11.236
549 1BXG NAD 11.236
550 1C1X NAD 11.2676
551 2J8Z NAP 11.2994
552 1DSS NAD 11.4114
553 5NUF NAD 11.4458
554 5NUE NAD 11.4458
555 1ZEM NAD 11.4504
556 1NVM NAD 11.5942
557 2ZB4 NAP 11.7647
558 2ZB4 5OP 11.7647
559 2NXE SAM 11.811
560 1VM6 NAD 11.8421
561 1L1E SAH 11.8467
562 5Z2F NAP 12.0755
563 2ZB3 NDP 12.1813
564 2CDC NAP 12.5683
565 2CDC XYP 12.5683
566 2CDC XYS 12.5683
567 2BGM NAJ 12.5899
568 2VYN NAD 12.6888
569 3SJ7 NDP 12.6984
570 1GAD NAD 12.7273
571 1O0S NAI 13.1016
572 4YAC NAI 13.1313
573 3JYN NDP 13.2308
574 4II2 ATP 13.253
575 3AD8 NAD 13.3005
576 3GEG NAD 13.3603
577 3ICC NAP 13.7255
578 1O5I NAD 14.0562
579 2EWM NAD 14.4578
580 1PZG A3D 14.5015
581 5GZ6 NDP 14.7239
582 5GZ6 7C3 14.7239
583 3H8V ATP 14.726
584 2GAG NAD 14.7619
585 5EIN NAP 14.8148
586 1LSS NAD 15
587 2EV9 SKM 15.2091
588 2EV9 NAP 15.2091
589 5L95 AMP 15.4122
590 6F9Q NAD 15.4412
591 2DM6 IMN 15.6156
592 2DM6 NAP 15.6156
593 5Y1G NAD 16.1585
594 2DTX BMA 16.2879
595 4Y1B NAP 16.8449
596 1GEE NAD 18.0077
597 4B7X NAP 18.1548
598 2YY7 NAD 18.2692
599 3Q9N COA 18.3544
600 2AG5 NAD 19.1057
601 1XG5 NAP 19.3548
602 2VT3 ATP 20
603 5FI3 NAP 20.4482
604 1Z82 NDP 21.4925
605 5VKT NAP 22.0994
606 1KOL NAD 24.0642
607 4RVU NDP 25.3012
608 2HK9 ATR 25.4545
609 2HK9 NAP 25.4545
610 5DOZ NDP 26.6272
611 3QWB NDP 32.6347
612 1YQD NAP 33.0601
613 3QV1 NAD 35.3659
614 3B6Z CO7 36.3881
615 5H81 NAP 36.8984
616 1YB5 NAP 38.4615
617 4IDC 1XX 38.8554
618 4IDC NDP 38.8554
619 3TWO NDP 41.092
620 1PL6 NAD 42.1348
621 1PL6 572 42.1348
622 1YKF NAP 42.6136
623 3GFB NAD 44
624 1KEV NDP 44.1595
625 2DFV NAD 45.8213
Pocket No.: 2; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found with APoc: 14
This union binding pocket(no: 2) in the query (biounit: 2jhf.bio1) has 194 residues
No: Leader PDB Ligand Sequence Similarity
1 1DLJ NAI 1.3369
2 5XWC 2IT 1.3369
3 5XWC 8GL 1.3369
4 5XWC NAP 1.3369
5 3A06 FOM 1.60428
6 4CNK FAD 1.60428
7 1P3D UMA 3.20856
8 4NTD FAD 3.82353
9 5JWC FAD 4.01069
10 3QJ4 FAD 5.84795
11 4JX1 CAM 8.84956
12 2JAH NDP 8.90688
13 1E6E FAD 12.5
14 2VOH CIT 26.9231
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