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 (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 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 7AAU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
49 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
51 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
53 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
54 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
57 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
60 1HDX - CXL C6 H12 O C1CCC(CC1)....
61 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
63 1DEH Kd = 1.9 uM 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+]....
50% Homology Family (66)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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 7AAU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1D1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1D1S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1CDO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1MP0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 2FZE - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
49 2FZW Kd = 0.076 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1M6W - 12H C12 H24 O3 C(CCCCCC(=....
51 1MA0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1U3T Ki = 0.36 uM CCB C10 H17 N O C1CCC(C1)N....
53 1U3V Ki = 0.33 uM HPL C8 H17 N O CCCCCCCNC=....
54 1HDY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 1HSZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1U3W Ki = 0.41 uM FXY C9 H19 N O CCCCCC[C@@....
57 1HDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1HT0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1U3U Ki = 0.33 uM BNF C8 H9 N O c1ccc(cc1)....
60 1HDX - CXL C6 H12 O C1CCC(CC1)....
61 1HTB Kd = 670 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 1HSO - PYZ C3 H3 I N2 c1c(cn[nH]....
63 1DEH Kd = 1.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 1F8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 4RQU Kd = 1.6 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 1P0F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAJ PZO; Similar ligands found: 218
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 BEF ADP 0.571429 0.871795
9 NDP DTT 0.570423 0.891566
10 ADP MG 0.568807 0.894737
11 ADP BEF 0.568807 0.894737
12 NMN AMP PO4 0.568182 0.973684
13 P1H 0.567376 0.879518
14 NAD TDB 0.55814 0.921053
15 NAD IBO 0.55814 0.921053
16 ALF ADP 0.556522 0.829268
17 VO4 ADP 0.556522 0.85
18 AP0 0.546154 0.9
19 ANP MG 0.543103 0.884615
20 ALF ADP 3PG 0.538462 0.821429
21 ADP BMA 0.53719 0.873418
22 TDT 0.53012 0.826087
23 DAL AMP 0.529412 0.884615
24 AF3 ADP 3PG 0.526718 0.821429
25 GAP 0.525862 0.873418
26 AMP NAD 0.522059 0.909091
27 6V0 0.519084 0.924051
28 A2D 0.518182 0.871795
29 AHZ 0.515385 0.802326
30 TXE 0.515152 0.8875
31 AMP MG 0.513761 0.881579
32 NAD 0.510949 0.909091
33 BA3 0.508929 0.871795
34 NAX 0.507576 0.901235
35 ADP 0.504425 0.848101
36 B4P 0.504425 0.871795
37 AP5 0.504425 0.871795
38 ATP A A A 0.503937 0.907895
39 ATP A 0.503937 0.907895
40 AN2 0.5 0.860759
41 1DG 0.5 0.924051
42 DG1 0.5 0.924051
43 PRX 0.5 0.804878
44 4TA 0.5 0.902439
45 AR6 AR6 0.5 0.896104
46 TXD 0.496241 0.864198
47 9SN 0.496063 0.831325
48 CA0 0.495652 0.85
49 A3D 0.492857 0.897436
50 8LQ 0.491803 0.839506
51 HEJ 0.491379 0.848101
52 ATP 0.491379 0.848101
53 KG4 0.491379 0.85
54 AMP 0.490909 0.846154
55 A 0.490909 0.846154
56 0WD 0.489209 0.924051
57 ARG AMP 0.48855 0.793103
58 MYR AMP 0.488189 0.802326
59 ANP 0.487395 0.85
60 5FA 0.487179 0.848101
61 AR6 0.487179 0.848101
62 APR 0.487179 0.848101
63 AQP 0.487179 0.848101
64 AT4 0.486957 0.817073
65 UP5 0.485075 0.898734
66 4AD 0.483871 0.851852
67 8LE 0.483333 0.829268
68 5AL 0.483333 0.860759
69 APC MG 0.483051 0.871795
70 AGS 0.483051 0.807229
71 AD9 0.483051 0.82716
72 ZID 0.482759 0.897436
73 M33 0.482759 0.8375
74 ADX 0.482759 0.770115
75 Z5A 0.479452 0.915663
76 ACP 0.478632 0.82716
77 50T 0.478632 0.814815
78 NDP 0.478261 0.924051
79 ADJ 0.478261 0.835294
80 45A 0.477876 0.825
81 ABM 0.477876 0.825
82 NAQ 0.475862 0.853659
83 8QN 0.475806 0.860759
84 SRP 0.47541 0.839506
85 8LH 0.47541 0.839506
86 HQG 0.471545 0.8375
87 V2G 0.471074 0.831325
88 AP2 0.469565 0.817073
89 A12 0.469565 0.817073
90 B5M 0.469231 0.851852
91 NAE 0.468966 0.875
92 A22 0.467742 0.860759
93 QA7 0.467742 0.829268
94 4TC 0.467153 0.876543
95 OAD 0.464567 0.85
96 9X8 0.464567 0.807229
97 3UK 0.464567 0.873418
98 9ZA 0.464 0.841463
99 OOB 0.464 0.884615
100 5SV 0.464 0.767442
101 9ZD 0.464 0.841463
102 DND 0.463235 0.886076
103 ACQ 0.46281 0.82716
104 APC 0.462185 0.817073
105 AMP DBH 0.462121 0.85
106 AMO 0.460317 0.839506
107 A1R 0.460317 0.797619
108 ADQ 0.460317 0.85
109 PAJ 0.460317 0.8
110 SRA 0.460177 0.804878
111 AU1 0.457627 0.85
112 NDC 0.457516 0.853659
113 3OD 0.457364 0.85
114 JNT 0.456693 0.82716
115 AHX 0.456693 0.831325
116 DLL 0.456693 0.884615
117 LPA AMP 0.455882 0.802326
118 ATF 0.455285 0.817073
119 DQV 0.451852 0.884615
120 NAD NDT 0.451807 0.734694
121 6YZ 0.451613 0.82716
122 T99 0.45082 0.817073
123 TAT 0.45082 0.817073
124 PR8 0.449612 0.790698
125 B5V 0.449612 0.8625
126 WAQ 0.449612 0.819277
127 LAD 0.449612 0.8
128 SON 0.449153 0.839506
129 A3R 0.448819 0.797619
130 N01 0.448276 0.909091
131 FA5 0.44697 0.8625
132 NAD BBN 0.446541 0.847059
133 DAL FAD PER 0.446429 0.813187
134 RBY 0.446281 0.817073
135 ADV 0.446281 0.817073
136 1ZZ 0.446154 0.781609
137 PTJ 0.446154 0.809524
138 NB8 0.446154 0.831325
139 ME8 0.446154 0.781609
140 00A 0.445312 0.841463
141 NDE 0.444444 0.886076
142 CNA 0.443662 0.886076
143 25L 0.442748 0.860759
144 LEU LMS 0.44186 0.73913
145 FAD T2C 0.441176 0.776596
146 NAD CJ3 0.440994 0.818182
147 OZV 0.440945 0.848101
148 25A 0.440945 0.871795
149 5AS 0.440678 0.728261
150 CNV FAD 0.439024 0.820225
151 T5A 0.43662 0.869048
152 L3W 0.435714 0.910256
153 BIS 0.435115 0.797619
154 TXA 0.435115 0.839506
155 FYA 0.435115 0.8375
156 AFH 0.433824 0.8
157 7MD 0.433824 0.802326
158 MAP 0.433071 0.829268
159 XAH 0.432836 0.802326
160 G5A 0.430894 0.747253
161 PO4 PO4 A A A A PO4 0.430769 0.881579
162 TYM 0.428571 0.8625
163 OMR 0.428571 0.772727
164 FAD NBT 0.427711 0.795699
165 139 0.426573 0.855422
166 G3A 0.426471 0.831325
167 LMS 0.426087 0.770115
168 FAD CNX 0.426035 0.752577
169 UPA 0.425532 0.8875
170 B5Y 0.425373 0.851852
171 KMQ 0.425373 0.839506
172 YLP 0.42446 0.764045
173 48N 0.42446 0.809524
174 NAP 0.423841 0.897436
175 AYB 0.423611 0.755556
176 G5P 0.423358 0.831325
177 4UU 0.423358 0.923077
178 FAD NBA 0.422857 0.752577
179 A4P 0.422535 0.827586
180 F2R 0.42069 0.764045
181 GTA 0.42029 0.823529
182 TAD 0.42029 0.8
183 4UV 0.419118 0.923077
184 AOC 0.418803 0.782051
185 LAQ 0.417266 0.781609
186 YLA 0.416667 0.784091
187 YLB 0.415493 0.764045
188 YLC 0.415493 0.802326
189 NSS 0.415385 0.766667
190 P6G FDA 0.415205 0.76087
191 NAJ 0.413793 0.909091
192 NZQ 0.413793 0.9125
193 NVA LMS 0.412214 0.741935
194 NFD 0.412162 0.864198
195 B1U 0.411765 0.744681
196 53H 0.410853 0.747253
197 8X1 0.410853 0.723404
198 TSB 0.410853 0.764045
199 A5A 0.409449 0.772727
200 NA0 0.409091 0.886076
201 NHD 0.408163 0.884615
202 NPW 0.406897 0.890244
203 SSA 0.40625 0.747253
204 P5A 0.406015 0.715789
205 7MC 0.405594 0.784091
206 DZD 0.405405 0.821429
207 LSS 0.40458 0.731183
208 DSZ 0.40458 0.747253
209 M24 0.403974 0.833333
210 52H 0.403101 0.747253
211 VMS 0.403101 0.755556
212 54H 0.403101 0.755556
213 JB6 0.402985 0.819277
214 TAP 0.402597 0.841463
215 4UW 0.401408 0.888889
216 5CA 0.4 0.747253
217 IOT 0.4 0.755556
218 M7G A2M G 0.4 0.811111
Similar Ligands (3D)
Ligand no: 1; Ligand: NAJ PZO; Similar ligands found: 0
No: Ligand Similarity coefficient
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
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