Receptor
PDB id Resolution Class Description Source Keywords
1N8K 1.13 Å EC: 1.1.1.1 HORSE LIVER ALCOHOL DEHYDROGENASE VAL292THR MUTANT COMPLEXED TO NAD+ AND PYRAZOLE EQUUS CABALLUS DEHYDROGENASE ALCOHOL NICOTINAMIDE COENZYME MUTANT PYRAZOLE 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:801;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NAJ PZO A:377;
B:377;
Valid;
Valid;
none;
none;
submit data
729.493 n/a [P+](...
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 (37)
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 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
5 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1N8K - NAJ PZO n/a n/a
8 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
10 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
11 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
12 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
13 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
14 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
16 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
18 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
19 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
25 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
26 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
27 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
28 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
30 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
33 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
35 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (62)
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 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
8 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1N8K - NAJ PZO n/a n/a
11 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
14 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
15 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
16 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
17 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
19 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
21 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
29 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
30 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
31 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
33 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
36 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
38 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
46 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
48 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
50 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
51 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
54 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
57 1HDX - CXL C6 H12 O C1CCC(CC1)....
58 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
60 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 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 1P1R Ki = 15 uM NMH C8 H17 N O CCCCC[C@@H....
8 1MG0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 2JHF Kd = 5 nM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1N8K - NAJ PZO n/a n/a
11 1QLH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3OQ6 - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3BTO Ki = 0.72 uM SSB C8 H16 O S CCCC[C@H]1....
14 4NFH - PFB C7 H3 F5 O C(c1c(c(c(....
15 5VL0 Ki = 0.74 uM BNF C8 H9 N O c1ccc(cc1)....
16 1BTO Ki = 0.31 uM SSB C8 H16 O S CCCC[C@H]1....
17 1LDE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 1N92 Ki = 0.02 uM NAJ PYZ n/a n/a
19 1QV7 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4DWV Ki = 0.52 uM PFB C7 H3 F5 O C(c1c(c(c(....
21 1MGO Ki = 51 uM PFB C7 H3 F5 O C(c1c(c(c(....
22 1LDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 1HLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 1HET - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1HEU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1AXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 5KCZ Kd = 15 uM NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5KCP Ki = 740 uM PFB C7 H3 F5 O C(c1c(c(c(....
29 4NFS - ETF C2 H3 F3 O C(C(F)(F)F....
30 4NG5 Ki = 1.9 uM PFB C7 H3 F5 O C(c1c(c(c(....
31 1QV6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 5VKR Ki = 41 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
33 1EE2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1A71 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 4DXH Ki = 8.4 uM ETF C2 H3 F3 O C(C(F)(F)F....
36 2OHX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 5VJG Kd = 0.31 mM 0BP C10 H8 N2 c1ccnc(c1)....
38 1AXE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2OXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 1HF3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
46 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
48 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
50 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
51 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
54 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
57 1HDX - CXL C6 H12 O C1CCC(CC1)....
58 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
60 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAJ PZO; Similar ligands found: 195
No: Ligand ECFP6 Tc MDL keys Tc
1 NAJ PZO 1 1
2 NAI 0.592 0.935897
3 EAD 0.583942 0.901235
4 ADP PO3 0.576577 0.894737
5 ATP MG 0.571429 0.860759
6 NMN AMP PO4 0.568182 0.973684
7 P1H 0.567376 0.879518
8 ADP MG 0.563636 0.860759
9 BEF ADP 0.558559 0.839506
10 ADP BEF 0.558559 0.839506
11 ADP ALF 0.556522 0.829268
12 ALF ADP 0.556522 0.829268
13 VO4 ADP 0.551724 0.860759
14 ADP VO4 0.551724 0.860759
15 AP0 0.546154 0.9
16 LA8 ALF 3PG 0.538462 0.821429
17 ALF ADP 3PG 0.538462 0.821429
18 ANP MG 0.538462 0.851852
19 NAD IBO 0.537313 0.875
20 ADP BMA 0.53719 0.873418
21 TDT 0.53012 0.826087
22 NAJ PYZ 0.528571 0.878049
23 AF3 ADP 3PG 0.526718 0.821429
24 GAP 0.525862 0.873418
25 6V0 0.519084 0.924051
26 A2D 0.518182 0.871795
27 DAL AMP 0.516667 0.884615
28 AHZ 0.515385 0.802326
29 TXE 0.515152 0.8875
30 NAD 0.510949 0.909091
31 AMP MG 0.509091 0.848101
32 BA3 0.508929 0.871795
33 NAX 0.507576 0.901235
34 B4P 0.504425 0.871795
35 ADP 0.504425 0.848101
36 AP5 0.504425 0.871795
37 ATP A A A 0.503937 0.907895
38 4TA 0.5 0.902439
39 AR6 AR6 0.5 0.896104
40 1DG 0.5 0.924051
41 DG1 0.5 0.924051
42 PRX 0.5 0.804878
43 AN2 0.5 0.860759
44 TXD 0.496241 0.864198
45 9SN 0.496063 0.831325
46 CA0 0.495652 0.85
47 A3D 0.492857 0.897436
48 ATP 0.491379 0.848101
49 A 0.490909 0.846154
50 AMP 0.490909 0.846154
51 0WD 0.489209 0.924051
52 MYR AMP 0.488189 0.802326
53 ANP 0.487395 0.85
54 APR 0.487179 0.848101
55 AR6 0.487179 0.848101
56 5FA 0.487179 0.848101
57 AQP 0.487179 0.848101
58 UP5 0.485075 0.898734
59 4AD 0.483871 0.851852
60 5AL 0.483333 0.860759
61 SAP 0.483051 0.807229
62 AD9 0.483051 0.82716
63 AGS 0.483051 0.807229
64 ADX 0.482759 0.770115
65 ZID 0.482759 0.897436
66 M33 0.482759 0.8375
67 Z5A 0.479452 0.915663
68 ACP 0.478632 0.82716
69 50T 0.478632 0.814815
70 ADJ 0.478261 0.835294
71 NDP 0.478261 0.924051
72 ABM 0.477876 0.825
73 TYR AMP 0.476923 0.886076
74 NAQ 0.475862 0.853659
75 8QN 0.475806 0.860759
76 SRP 0.47541 0.839506
77 A A 0.472441 0.871795
78 ARG AMP 0.470149 0.793103
79 AP2 0.469565 0.817073
80 A12 0.469565 0.817073
81 NAE 0.468966 0.875
82 A22 0.467742 0.860759
83 4TC 0.467153 0.876543
84 OAD 0.464567 0.85
85 3UK 0.464567 0.873418
86 OOB 0.464 0.884615
87 5SV 0.464 0.767442
88 DND 0.463235 0.886076
89 NXX 0.463235 0.886076
90 ACQ 0.46281 0.82716
91 AMP NAD 0.462585 0.886076
92 APC 0.462185 0.817073
93 AMP DBH 0.462121 0.85
94 A1R 0.460317 0.797619
95 ADQ 0.460317 0.85
96 PAJ 0.460317 0.8
97 AMO 0.460317 0.839506
98 SRA 0.460177 0.804878
99 AU1 0.457627 0.85
100 NDC 0.457516 0.853659
101 3OD 0.457364 0.85
102 AHX 0.456693 0.831325
103 DLL 0.456693 0.884615
104 LPA AMP 0.455882 0.802326
105 ATF 0.455285 0.817073
106 NAD NDT 0.451807 0.734694
107 TAT 0.45082 0.817073
108 PR8 0.449612 0.790698
109 LAD 0.449612 0.8
110 WAQ 0.449612 0.819277
111 SON 0.449153 0.839506
112 N01 0.448276 0.909091
113 FA5 0.44697 0.8625
114 NAD BBN 0.446541 0.847059
115 ADV 0.446281 0.817073
116 RBY 0.446281 0.817073
117 NB8 0.446154 0.831325
118 ME8 0.446154 0.781609
119 1ZZ 0.446154 0.781609
120 PTJ 0.446154 0.809524
121 00A 0.445312 0.841463
122 NDE 0.444444 0.886076
123 CNA 0.443662 0.886076
124 A U 0.442857 0.923077
125 25L 0.442748 0.860759
126 NAD CJ3 0.440994 0.818182
127 25A 0.440945 0.871795
128 5AS 0.440678 0.728261
129 CNV FAD 0.439024 0.820225
130 T5A 0.43662 0.869048
131 YAP 0.43609 0.851852
132 TXA 0.435115 0.839506
133 FYA 0.435115 0.8375
134 BIS 0.435115 0.797619
135 7MD 0.433824 0.802326
136 AFH 0.433824 0.8
137 MAP 0.433071 0.829268
138 XAH 0.432836 0.802326
139 G5A 0.430894 0.747253
140 PO4 PO4 A A A A PO4 0.430769 0.881579
141 TYM 0.428571 0.8625
142 OMR 0.428571 0.772727
143 FAD NBT 0.427711 0.795699
144 139 0.426573 0.855422
145 G3A 0.426471 0.831325
146 FAD CNX 0.426035 0.752577
147 UPA 0.425532 0.8875
148 48N 0.42446 0.809524
149 YLP 0.42446 0.764045
150 NAP 0.423841 0.897436
151 AYB 0.423611 0.755556
152 G5P 0.423358 0.831325
153 4UU 0.423358 0.923077
154 DAL FAD PER 0.422619 0.795455
155 A4P 0.422535 0.827586
156 TAD 0.42029 0.8
157 GTA 0.42029 0.823529
158 4UV 0.419118 0.923077
159 AOC 0.418803 0.782051
160 LAQ 0.417266 0.781609
161 YLA 0.416667 0.784091
162 YLB 0.415493 0.764045
163 YLC 0.415493 0.802326
164 NSS 0.415385 0.766667
165 P6G FDA 0.415205 0.76087
166 NAJ 0.413793 0.909091
167 NZQ 0.413793 0.9125
168 NFD 0.412162 0.864198
169 TSB 0.410853 0.764045
170 53H 0.410853 0.747253
171 NAD TDB 0.410405 0.735294
172 A5A 0.409449 0.772727
173 NA0 0.409091 0.886076
174 NHD 0.408163 0.884615
175 G A A A 0.408163 0.853659
176 NPW 0.406897 0.890244
177 SSA 0.40625 0.747253
178 P5A 0.406015 0.715789
179 7MC 0.405594 0.784091
180 DZD 0.405405 0.821429
181 DSZ 0.40458 0.747253
182 LSS 0.40458 0.731183
183 M24 0.403974 0.833333
184 52H 0.403101 0.747253
185 54H 0.403101 0.755556
186 VMS 0.403101 0.755556
187 JB6 0.402985 0.819277
188 TAP 0.402597 0.841463
189 NVA LMS 0.401515 0.75
190 4UW 0.401408 0.888889
191 U G A 0.401235 0.86747
192 U A C C 0.4 0.911392
193 IOT 0.4 0.755556
194 5CA 0.4 0.747253
195 U A A U 0.4 0.911392
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found: 241
This union binding pocket(no: 1) in the query (biounit: 2jhf.bio1) has 191 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZXI FAD 0.01032 0.4198 1.60428
2 4EUE NAI 0.02614 0.41138 1.60428
3 2PV7 NAD 0.0001794 0.51995 1.67785
4 3V1Y NAD 0.00004748 0.55076 1.78042
5 2V3A FAD 0.005517 0.42917 1.87166
6 1I8T FAD 0.01319 0.41201 1.90736
7 1BXK NAD 0.01099 0.43446 1.97183
8 1ORR NAD 0.02254 0.41243 2.01729
9 1LUA NAP 0.0003084 0.53147 2.09059
10 2ZJ1 ARJ 0.00007658 0.47584 2.13904
11 2ZJ1 NAD 0.0000772 0.47571 2.13904
12 1XHC FAD 0.002161 0.45004 2.17984
13 4O0L NDP 0.007097 0.43865 2.18182
14 1P77 ATR 0.00003722 0.63522 2.20588
15 3T7S SAM 0.04218 0.42712 2.23881
16 3O9Z NAD 0.004744 0.41965 2.24359
17 3O9Z AKG 0.007782 0.41308 2.24359
18 2AHR NAP 0.03326 0.40847 2.3166
19 3GD4 NAD 0.005178 0.46284 2.40642
20 4PIV NDP 0.002564 0.45842 2.40642
21 5TUK FAD 0.008949 0.44089 2.40642
22 3FG2 FAD 0.008413 0.43115 2.40642
23 4RSL FAD 0.007916 0.42642 2.40642
24 5I39 FAD 0.01391 0.41273 2.40642
25 4RDH AMP 0.0003317 0.54826 2.43056
26 3FZG SAM 0.01501 0.45754 2.5
27 5LD5 NAD 0.0003943 0.51812 2.51397
28 1FL2 FAD 0.02426 0.40125 2.58065
29 3MJE NDP 0.01983 0.42059 2.62097
30 1U8X NAD 0.002162 0.47248 2.6738
31 4HXY NDP 0.002013 0.46311 2.6738
32 5MQ6 NDP 0.006306 0.45861 2.6738
33 2PK3 A2R 0.01122 0.45471 2.6738
34 3FWN ATR 0.003418 0.44597 2.6738
35 4OOE NDP 0.01533 0.4322 2.6738
36 5F5N NAD 0.04171 0.41141 2.76817
37 2D5A COA 0.005988 0.45972 2.77778
38 3OFK SAH 0.04633 0.42759 2.77778
39 3OA2 NAD 0.001343 0.47642 2.83019
40 3SJU NDP 0.01248 0.42767 2.86738
41 1Y1P NMN AMP PO4 0.0161 0.43841 2.92398
42 1ZH8 NAP 0.0003093 0.50895 2.94118
43 1F8G NAD 0.005673 0.46384 2.94118
44 2GV8 NDP 0.00794 0.45092 2.94118
45 3L9W AMP 0.007775 0.43688 2.94118
46 2GV8 FAD 0.006266 0.43466 2.94118
47 3L9W GSH 0.01969 0.42275 2.94118
48 5WGR FAD 0.01635 0.40667 2.94118
49 2RGO FAD 0.02903 0.40107 2.94118
50 1RPN NDP 0.04561 0.40055 2.94118
51 5A04 NDP 0.008868 0.40232 2.94985
52 2DC1 NAD 0.0006171 0.495 2.9661
53 2C29 NAP 0.01165 0.43328 2.96736
54 1CER NAD 0.0002333 0.51813 3.02115
55 4XZ3 COA 0.0003707 0.51944 3.04348
56 4USR FAD 0.02935 0.40739 3.04709
57 4YCA NDP 0.0003697 0.50869 3.06122
58 1NV8 SAM 0.041 0.40982 3.16901
59 4XQC NAD 0.000255 0.47178 3.20856
60 4XQC 13D 0.0003507 0.46431 3.20856
61 5VN0 NAI 0.003885 0.46045 3.20856
62 1QMG APX 0.005899 0.46004 3.20856
63 1L7E NAI 0.01029 0.44541 3.20856
64 1P31 EPU 0.0399 0.42842 3.20856
65 3GMB FAD 0.01362 0.42013 3.20856
66 5VN0 FAD 0.01368 0.41302 3.20856
67 2HNK SAH 0.04713 0.41956 3.34728
68 1VL8 NAP 0.00604 0.43743 3.37079
69 1LJ8 NAD 0.005617 0.46406 3.47594
70 1M2W NAD 0.008944 0.45108 3.47594
71 3LXD FAD 0.01387 0.41797 3.47594
72 1NVT NAP 0.0002646 0.52282 3.48432
73 3KB6 NAD 0.00005474 0.54393 3.59281
74 3WMX NAD 0.01433 0.43359 3.63128
75 3ICT ADP 0.000033 0.61593 3.74332
76 1OBB NAD 0.00039 0.51463 3.74332
77 1X14 NAD 0.001418 0.50942 3.74332
78 2RGJ FAD 0.005114 0.44058 3.74332
79 3ICR FAD 0.02246 0.40574 3.74332
80 1H5Q NAP 0.01517 0.42386 3.77358
81 4OSP NAP 0.04166 0.40761 3.80228
82 2AE2 NAP 0.007987 0.41912 3.84615
83 2AE2 PTO 0.007987 0.41912 3.84615
84 3L4S NAD 0.0009356 0.47527 3.86905
85 3L4S 3PG 0.001046 0.47055 3.86905
86 1GEG NAD 0.01273 0.42937 3.90625
87 3RC1 TLO 0.03319 0.40336 4
88 5TUF FAD 0.008041 0.43409 4.01069
89 5JWC FAD 0.01225 0.42026 4.01069
90 2OOR NAD 0.005226 0.46563 4.02299
91 1NYT NAP 0.0002276 0.52225 4.05904
92 2QRK AMP 0.001593 0.45121 4.06091
93 1K3T BRZ 0.002919 0.45117 4.17827
94 1GUZ NAD 0.00001637 0.56419 4.19355
95 1J49 NAD 0.00004661 0.54336 4.2042
96 2ZAT NAP 0.01843 0.42204 4.23077
97 4A0S NAP 0.00004683 0.53599 4.27807
98 2YG3 FAD 0.01703 0.40595 4.27807
99 5BVA FAD 0.01412 0.40319 4.27807
100 2V6G NAP 0.01501 0.42407 4.3956
101 2CVZ NDP 0.0003827 0.50798 4.49827
102 5MDH NAD 0.0001688 0.52118 4.5045
103 2FR1 NDP 0.002487 0.45657 4.54545
104 2XVF FAD 0.01883 0.40893 4.54545
105 1E3W NAD 0.005692 0.44524 4.5977
106 1U7T NAD 0.01928 0.42528 4.5977
107 4XYB NDP 0.0004389 0.48421 4.60358
108 1E6W NAD 0.01747 0.4231 4.61538
109 3A28 NAD 0.02398 0.41682 4.65116
110 4D79 ATP 0.00016 0.55532 4.71014
111 4RL4 PPV 0.02528 0.45948 4.71698
112 2VHW NAI 0.00001241 0.54372 4.81283
113 1E5Q NDP 0.0001633 0.51838 4.81283
114 2IZ1 ATR 0.03552 0.40542 4.81283
115 1HYH NAD 0.00001523 0.55774 4.85437
116 3A4V PYR 0.01724 0.41221 5.04732
117 3A4V NAD 0.01724 0.41221 5.04732
118 4G74 FAD 0.01692 0.41255 5.08021
119 5JDC NAP 0.0344 0.4115 5.08021
120 2VVL FAD 0.01871 0.40431 5.08021
121 1X87 NAD 0.0002349 0.52923 5.08167
122 3QWI NAP 0.0217 0.41498 5.18518
123 3VYW SAM 0.03686 0.42512 5.19481
124 2YYY NAP 0.009493 0.43739 5.24781
125 1Y8Q ATP 0.001267 0.48974 5.34759
126 4TXI FAD 0.001977 0.46096 5.34759
127 2BRY FAD 0.003884 0.44578 5.34759
128 5GUD NDP 0.00576 0.42658 5.34759
129 5GUD 2IT 0.0118 0.41737 5.34759
130 2Q1W NAD 0.02987 0.40705 5.34759
131 3NGL NAP 0.0005016 0.5207 5.43478
132 3LU1 NAD 0.02554 0.41366 5.49451
133 4ZVV GN0 0.0002073 0.44755 5.61497
134 4ZVV NAD 0.0002073 0.44755 5.61497
135 4CJX NAP 0.000287 0.51743 5.64263
136 2X3N FAD 0.005946 0.42971 5.76441
137 2Q0L NAP 0.001493 0.51251 5.78778
138 1KYQ NAD 0.0001007 0.57111 5.83942
139 3QJ4 FAD 0.008171 0.42219 5.84795
140 1ZBQ NAD 0.02313 0.41375 6.11621
141 4DPL NAP 0.003401 0.45537 6.12813
142 4CMI NAP 0.03133 0.41339 6.14973
143 3JQB NAP 0.03612 0.41243 6.14973
144 4CM8 NAP 0.03606 0.41054 6.14973
145 4CLO NAP 0.03969 0.41049 6.14973
146 5JCJ NAP 0.03747 0.40976 6.14973
147 3JQG NAP 0.04355 0.40858 6.14973
148 3JQ8 NAP 0.03803 0.40762 6.14973
149 4CM4 NAP 0.04176 0.40756 6.14973
150 3BMN NAP 0.03848 0.40738 6.14973
151 4CME NAP 0.04495 0.40606 6.14973
152 1OMO NAD 0.000005757 0.60365 6.21118
153 4NBT NAD 0.0407 0.40808 6.25
154 4B4U NAP 0.009014 0.43189 6.27063
155 5TS5 FAD 0.01734 0.40412 6.41711
156 4CQM NAP 0.00693 0.44136 6.55738
157 4JK3 NAD 0.000001124 0.62747 6.56371
158 4BVA NDP 0.00006039 0.53106 6.56716
159 4BVA T3 0.0003427 0.47843 6.56716
160 1NPD NAD 0.00269 0.47383 6.59722
161 1WDK NAD 0.00001379 0.59003 6.68449
162 5J7X FAD 0.02384 0.40309 6.68449
163 5CAE COA 0.0002182 0.52689 6.70927
164 5CAE SIN 0.0005751 0.48184 6.70927
165 3OZ2 FAD 0.02282 0.40084 6.80101
166 5JE8 NAD 0.00002428 0.56881 6.95364
167 2FKA BEF 0.009513 0.48219 6.97674
168 3WXB NDP 0.03217 0.40913 7.16846
169 3ORF NAD 0.03646 0.41032 7.17131
170 5OFW 9TW 0.02598 0.46459 7.17489
171 1DJN ADP 0.0002251 0.53014 7.21925
172 3IHG FAD 0.008238 0.44022 7.21925
173 4QED NAP 0.04387 0.40475 7.25806
174 2CVQ NDP 0.00008721 0.53088 7.33945
175 4XDY NAI 0.002087 0.47321 7.39645
176 4K28 NAD 0.000006977 0.59474 7.43494
177 1W73 NAP 0.005849 0.45739 7.61589
178 5MX4 HPA 0.04515 0.4505 7.72532
179 1EQ2 NAP 0.005317 0.44658 7.74194
180 4ZRN NAD 0.03281 0.40358 8.01282
181 5ODQ FAD 0.01094 0.41047 8.02139
182 5N53 8NB 0.0169 0.47606 8.20513
183 1XKQ NDP 0.04254 0.40026 8.21429
184 2I3G NAP 0.001269 0.47205 8.23864
185 1W6U NAP 0.0184 0.43307 8.27815
186 1I36 NAP 0.002214 0.48438 8.33333
187 4PLT NAI 0.0001703 0.45579 8.45921
188 4PLT OXM 0.0002426 0.45421 8.45921
189 3S5W NAP 0.01242 0.46208 8.55615
190 3S5W FAD 0.00555 0.44343 8.55615
191 2IVD FAD 0.006929 0.42885 8.55615
192 3CGB FAD 0.007752 0.42494 8.55615
193 3GRU AMP 0.01385 0.44166 8.81356
194 3OJO NAD 0.00001771 0.58467 8.82353
195 2JAP NDP 0.02166 0.41689 8.90688
196 2G5C NAD 0.00004601 0.53991 9.25267
197 2DBZ NAP 0.00003637 0.54829 9.28144
198 1MV8 NAD 0.000009055 0.58471 9.35829
199 1MUU NAD 0.00002209 0.57077 9.35829
200 3GDH SAH 0.03782 0.41764 9.54357
201 3DXY SAM 0.02792 0.44919 10.0917
202 3NUG NAD 0.01844 0.42005 10.1215
203 1N9G NAP 0.001118 0.48913 10.1604
204 2DT5 NAD 0.00001167 0.57093 10.4265
205 1V59 NAD 0.0004169 0.55332 10.4278
206 2D2I NAP 0.001911 0.48426 10.4278
207 3EGI ADP 0.01664 0.4744 11.165
208 3B20 NAD 0.000478 0.51033 11.2094
209 1ZEM NAD 0.001987 0.47422 11.4504
210 2ZB4 NAP 0.000375 0.47931 11.7647
211 2ZB4 5OP 0.0003995 0.47572 11.7647
212 1VM6 NAD 0.0005475 0.50399 11.8421
213 1L1E SAH 0.0425 0.42191 11.8467
214 2ZB3 NDP 0.0006882 0.48974 12.1813
215 2VYN NAD 0.00004933 0.54222 12.6888
216 4II2 ATP 0.001339 0.49895 13.253
217 3AD8 NAD 0.002069 0.45533 13.3005
218 5GZ6 NDP 0.0003851 0.52655 14.7239
219 5GZ6 7C3 0.0005252 0.51197 14.7239
220 2GAG NAD 0.004068 0.43653 14.7619
221 1LSS NAD 0.00006723 0.56521 15
222 2EV9 NAP 0.0004457 0.48945 15.2091
223 2EV9 SKM 0.0004457 0.48945 15.2091
224 3HVJ 705 0.02216 0.40928 15.3846
225 5L95 AMP 0.0004601 0.52677 15.4122
226 1GEE NAD 0.04022 0.40649 18.0077
227 2VT3 ATP 0.000003535 0.67108 20
228 5FI3 NAP 0.0000003357 0.63654 20.4482
229 1Z82 NDP 0.01404 0.43174 21.4925
230 3EGV SAH 0.02163 0.44565 21.7687
231 5VKT NAP 0.00000009347 0.66165 22.0994
232 4RVU NDP 0.0009882 0.4691 25.3012
233 2HK9 ATR 0.000007556 0.66009 25.4545
234 2HK9 NAP 0.000142 0.52831 25.4545
235 5DOZ NDP 0.0006197 0.48043 26.6272
236 3QWB NDP 0.0009586 0.47749 32.6347
237 3B6Z CO7 0.0004577 0.48894 36.3881
238 5H81 NAP 0.00000345 0.62525 36.8984
239 1YB5 NAP 0.0000158 0.54612 38.4615
240 1YKF NAP 0.000002928 0.59401 42.6136
241 3GFB NAD 0.0000001809 0.65932 44
Pocket No.: 2; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2jhf.bio1) has 191 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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