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(=O)...
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 LIVE DEHYDROGENASE EQUUS CABALLUS OXIDOREDUCTASE METAL COORDINATION NAD ZINC INHIBITION ACETYLATION METAL-BINDING ALCOHOL DEHYDROGENASE
Ref.: STRUCTURAL EVIDENCE FOR A LIGAND COORDINATION SWITC 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 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAI C21 H29 N7 O14 P2 c1nc(c2c(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 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 1E3L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1E3E - NAI C21 H29 N7 O14 P2 c1nc(c2c(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 PZO; Similar ligands found: 212
No: Ligand ECFP6 Tc MDL keys Tc
1 NAJ PZO 1 1
2 NAJ PYZ 0.82906 0.95
3 80F 0.59542 0.869048
4 NAI 0.592 0.935897
5 EAD 0.583942 0.901235
6 ATP MG 0.576577 0.894737
7 ADP PO3 0.576577 0.894737
8 ADP MG 0.568807 0.894737
9 NMN AMP PO4 0.568182 0.973684
10 P1H 0.567376 0.879518
11 ADP ALF 0.556522 0.829268
12 ALF ADP 0.556522 0.829268
13 ADP VO4 0.551724 0.860759
14 VO4 ADP 0.551724 0.860759
15 AP0 0.546154 0.9
16 ADP BMA 0.53719 0.873418
17 TDT 0.53012 0.826087
18 DAL AMP 0.529412 0.884615
19 AF3 ADP 3PG 0.526718 0.821429
20 GAP 0.525862 0.873418
21 AMP NAD 0.522059 0.909091
22 6V0 0.519084 0.924051
23 A2D 0.518182 0.871795
24 AHZ 0.515385 0.802326
25 TXE 0.515152 0.8875
26 NAD 0.510949 0.909091
27 BA3 0.508929 0.871795
28 TYR AMP 0.507812 0.875
29 NAX 0.507576 0.901235
30 AP5 0.504425 0.871795
31 B4P 0.504425 0.871795
32 ADP 0.504425 0.848101
33 ATP A 0.503937 0.907895
34 ATP A A A 0.503937 0.907895
35 AN2 0.5 0.860759
36 1DG 0.5 0.924051
37 DG1 0.5 0.924051
38 AR6 AR6 0.5 0.896104
39 4TA 0.5 0.902439
40 PRX 0.5 0.804878
41 TXD 0.496241 0.864198
42 9SN 0.496063 0.831325
43 CA0 0.495652 0.85
44 A3D 0.492857 0.897436
45 8LQ 0.491803 0.839506
46 KG4 0.491379 0.85
47 ATP 0.491379 0.848101
48 HEJ 0.491379 0.848101
49 AMP 0.490909 0.846154
50 A 0.490909 0.846154
51 0WD 0.489209 0.924051
52 ARG AMP 0.48855 0.793103
53 MYR AMP 0.488189 0.802326
54 ANP 0.487395 0.85
55 APR 0.487179 0.848101
56 5FA 0.487179 0.848101
57 AR6 0.487179 0.848101
58 AQP 0.487179 0.848101
59 AT4 0.486957 0.817073
60 UP5 0.485075 0.898734
61 4AD 0.483871 0.851852
62 8LE 0.483333 0.829268
63 5AL 0.483333 0.860759
64 AD9 0.483051 0.82716
65 APC MG 0.483051 0.871795
66 AGS 0.483051 0.807229
67 SAP 0.483051 0.807229
68 M33 0.482759 0.8375
69 ADX 0.482759 0.770115
70 ZID 0.482759 0.897436
71 Z5A 0.479452 0.915663
72 ACP 0.478632 0.82716
73 50T 0.478632 0.814815
74 NDP 0.478261 0.924051
75 ADJ 0.478261 0.835294
76 45A 0.477876 0.825
77 ABM 0.477876 0.825
78 NAQ 0.475862 0.853659
79 8QN 0.475806 0.860759
80 8LH 0.47541 0.839506
81 SRP 0.47541 0.839506
82 A A 0.472441 0.871795
83 HQG 0.471545 0.8375
84 A12 0.469565 0.817073
85 AP2 0.469565 0.817073
86 B5M 0.469231 0.851852
87 NAE 0.468966 0.875
88 A22 0.467742 0.860759
89 4TC 0.467153 0.876543
90 3UK 0.464567 0.873418
91 9X8 0.464567 0.807229
92 OAD 0.464567 0.85
93 9ZD 0.464 0.841463
94 5SV 0.464 0.767442
95 9ZA 0.464 0.841463
96 OOB 0.464 0.884615
97 NXX 0.463235 0.886076
98 DND 0.463235 0.886076
99 ACQ 0.46281 0.82716
100 APC 0.462185 0.817073
101 AMP DBH 0.462121 0.85
102 PAJ 0.460317 0.8
103 ADQ 0.460317 0.85
104 A1R 0.460317 0.797619
105 AMO 0.460317 0.839506
106 SRA 0.460177 0.804878
107 AU1 0.457627 0.85
108 NDC 0.457516 0.853659
109 3OD 0.457364 0.85
110 DLL 0.456693 0.884615
111 AHX 0.456693 0.831325
112 LPA AMP 0.455882 0.802326
113 ATF 0.455285 0.817073
114 DQV 0.451852 0.884615
115 6YZ 0.451613 0.82716
116 TAT 0.45082 0.817073
117 T99 0.45082 0.817073
118 B5V 0.449612 0.8625
119 WAQ 0.449612 0.819277
120 LAD 0.449612 0.8
121 PR8 0.449612 0.790698
122 SON 0.449153 0.839506
123 A3R 0.448819 0.797619
124 N01 0.448276 0.909091
125 U A 0.448276 0.911392
126 FA5 0.44697 0.8625
127 ADV 0.446281 0.817073
128 RBY 0.446281 0.817073
129 NB8 0.446154 0.831325
130 1ZZ 0.446154 0.781609
131 PTJ 0.446154 0.809524
132 ME8 0.446154 0.781609
133 00A 0.445312 0.841463
134 NDE 0.444444 0.886076
135 CNA 0.443662 0.886076
136 A U 0.442857 0.923077
137 25L 0.442748 0.860759
138 OZV 0.440945 0.848101
139 25A 0.440945 0.871795
140 5AS 0.440678 0.728261
141 T5A 0.43662 0.869048
142 YAP 0.43609 0.851852
143 FYA 0.435115 0.8375
144 BIS 0.435115 0.797619
145 TXA 0.435115 0.839506
146 7MD 0.433824 0.802326
147 AFH 0.433824 0.8
148 MAP 0.433071 0.829268
149 XAH 0.432836 0.802326
150 G5A 0.430894 0.747253
151 PO4 PO4 A A A A PO4 0.430769 0.881579
152 OMR 0.428571 0.772727
153 TYM 0.428571 0.8625
154 FAD NBT 0.427711 0.795699
155 139 0.426573 0.855422
156 G3A 0.426471 0.831325
157 LMS 0.426087 0.770115
158 FAD CNX 0.426035 0.752577
159 UPA 0.425532 0.8875
160 B5Y 0.425373 0.851852
161 48N 0.42446 0.809524
162 YLP 0.42446 0.764045
163 NAP 0.423841 0.897436
164 AYB 0.423611 0.755556
165 4UU 0.423358 0.923077
166 G5P 0.423358 0.831325
167 FAD NBA 0.422857 0.752577
168 A4P 0.422535 0.827586
169 F2R 0.42069 0.764045
170 GTA 0.42029 0.823529
171 TAD 0.42029 0.8
172 LEU LMS 0.419847 0.741935
173 4UV 0.419118 0.923077
174 AOC 0.418803 0.782051
175 LAQ 0.417266 0.781609
176 YLA 0.416667 0.784091
177 YLB 0.415493 0.764045
178 YLC 0.415493 0.802326
179 NSS 0.415385 0.766667
180 P6G FDA 0.415205 0.76087
181 NZQ 0.413793 0.9125
182 NAJ 0.413793 0.909091
183 NVA LMS 0.412214 0.741935
184 NFD 0.412162 0.864198
185 B1U 0.411765 0.744681
186 53H 0.410853 0.747253
187 TSB 0.410853 0.764045
188 8X1 0.410853 0.723404
189 A5A 0.409449 0.772727
190 A C A C 0.409396 0.9
191 NA0 0.409091 0.886076
192 NHD 0.408163 0.884615
193 G A A A 0.408163 0.853659
194 NPW 0.406897 0.890244
195 SSA 0.40625 0.747253
196 P5A 0.406015 0.715789
197 7MC 0.405594 0.784091
198 DZD 0.405405 0.821429
199 CNV FAD 0.404762 0.848837
200 DSZ 0.40458 0.747253
201 LSS 0.40458 0.731183
202 M24 0.403974 0.833333
203 VMS 0.403101 0.755556
204 54H 0.403101 0.755556
205 52H 0.403101 0.747253
206 JB6 0.402985 0.819277
207 TAP 0.402597 0.841463
208 4UW 0.401408 0.888889
209 U A C C 0.4 0.911392
210 U A A U 0.4 0.911392
211 IOT 0.4 0.755556
212 5CA 0.4 0.747253
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: 9
This union binding pocket(no: 1) in the query (biounit: 2jhf.bio1) has 193 residues
No: Leader PDB Ligand Sequence Similarity
1 6ISV NAD 38.6667
2 1PL6 NAD 42.1348
3 1PL6 NAD 42.1348
4 1PL6 NAD 42.1348
5 1PL6 NAD 42.1348
6 1PL6 NAD 42.1348
7 1PL6 NAD 42.1348
8 1PL6 NAD 42.1348
9 1PL6 NAD 42.1348
Pocket No.: 2; Query (leader) PDB : 2JHF; Ligand: NAD; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 2jhf.bio1) has 194 residues
No: Leader PDB Ligand Sequence Similarity
1 6ISV NAD 38.6667
2 1PL6 NAD 42.1348
3 1PL6 NAD 42.1348
4 1PL6 NAD 42.1348
5 1PL6 NAD 42.1348
6 1PL6 NAD 42.1348
7 1PL6 NAD 42.1348
8 1PL6 NAD 42.1348
9 1PL6 NAD 42.1348
APoc FAQ
Feedback