Receptor
PDB id Resolution Class Description Source Keywords
5VKR 1.8 Å EC: 1.1.1.1 HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH ADENOSINE-5 DIPHOSPHORIBOSE EQUUS CABALLUS OXIDOREDUCTASE ALCOHOL DEHYDROGENASE HORSE LIVER ADPR AD5-DIPHOSPHORIBOSE ZINC
Ref.: HORSE LIVER ALCOHOL DEHYDROGENASE: ZINC COORDINATIO CATALYSIS. BIOCHEMISTRY V. 56 3632 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
A:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
APR A:403;
Valid;
none;
Ki = 41 uM
559.316 C15 H23 N5 O14 P2 c1nc(...
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: APR; Similar ligands found: 380
No: Ligand ECFP6 Tc MDL keys Tc
1 APR 1 1
2 AR6 1 1
3 A2D 0.898551 0.971831
4 BA3 0.847222 0.971831
5 B4P 0.835616 0.971831
6 AP5 0.835616 0.971831
7 M33 0.813333 0.958333
8 ADP 0.810811 0.971831
9 RBY 0.805195 0.958904
10 ADV 0.805195 0.958904
11 ATP 0.802632 0.971831
12 AN2 0.8 0.958333
13 AQP 0.792208 0.971831
14 5FA 0.792208 0.971831
15 AD9 0.782051 0.945205
16 AGS 0.782051 0.92
17 SAP 0.782051 0.92
18 ACP 0.779221 0.945205
19 AMP 0.753425 0.943662
20 A 0.753425 0.943662
21 3OD 0.747126 0.972222
22 PRX 0.746835 0.893333
23 OAD 0.744186 0.972222
24 CA0 0.74359 0.972222
25 ADX 0.74359 0.873418
26 ACQ 0.740741 0.945205
27 ANP 0.740741 0.945205
28 A22 0.738095 0.958333
29 50T 0.734177 0.931507
30 A2R 0.72619 0.985915
31 ABM 0.723684 0.917808
32 ATF 0.722892 0.932432
33 ADQ 0.72093 0.972222
34 A1R 0.72093 0.907895
35 AMP MG 0.710526 0.891892
36 AP2 0.705128 0.932432
37 A12 0.705128 0.932432
38 SRA 0.697368 0.893333
39 5AL 0.690476 0.958333
40 APC 0.682927 0.932432
41 ADP MG 0.679012 0.905405
42 AU1 0.679012 0.945205
43 TAT 0.678571 0.932432
44 SRP 0.674419 0.932432
45 ADP BEF 0.670732 0.881579
46 BEF ADP 0.670732 0.881579
47 BIS 0.67033 0.907895
48 25L 0.663043 0.958333
49 4AD 0.662921 0.945946
50 DLL 0.655556 0.958333
51 00A 0.655556 0.907895
52 ADP PO3 0.654762 0.943662
53 25A 0.651685 0.944444
54 OOB 0.651685 0.958333
55 5SV 0.651685 0.848101
56 8QN 0.651685 0.958333
57 ATP MG 0.647059 0.905405
58 AMO 0.644444 0.958904
59 PAJ 0.644444 0.909091
60 MAP 0.640449 0.92
61 OMR 0.64 0.875
62 AFH 0.639175 0.909091
63 AHX 0.637363 0.896104
64 FYA 0.634409 0.905405
65 3UK 0.630435 0.945205
66 NAX 0.63 0.873418
67 G3A 0.628866 0.896104
68 SON 0.626506 0.932432
69 ALF ADP 0.625 0.87013
70 ADP ALF 0.625 0.87013
71 WAQ 0.623656 0.907895
72 PR8 0.623656 0.873418
73 LAD 0.623656 0.884615
74 G5P 0.622449 0.896104
75 GAP 0.62069 0.918919
76 48N 0.62 0.921053
77 ANP MG 0.617977 0.894737
78 ADP VO4 0.617977 0.931507
79 VO4 ADP 0.617977 0.931507
80 AP0 0.617647 0.896104
81 ME8 0.617021 0.8625
82 NB8 0.617021 0.921053
83 1ZZ 0.617021 0.8625
84 PTJ 0.617021 0.896104
85 TXA 0.617021 0.958904
86 GTA 0.616162 0.8625
87 FA5 0.614583 0.932432
88 NAI 0.613861 0.907895
89 TXD 0.613861 0.907895
90 6V0 0.613861 0.896104
91 DND 0.613861 0.958904
92 NXX 0.613861 0.958904
93 TXE 0.607843 0.907895
94 9SN 0.604167 0.896104
95 UP5 0.598039 0.92
96 YAP 0.597938 0.92
97 XAH 0.591837 0.839506
98 XYA 0.589041 0.84507
99 RAB 0.589041 0.84507
100 ADN 0.589041 0.84507
101 DAL AMP 0.586957 0.931507
102 2A5 0.586207 0.893333
103 4UV 0.585859 0.92
104 AOC 0.585366 0.821918
105 ADJ 0.584906 0.875
106 7D4 0.581395 0.88
107 ITT 0.581395 0.916667
108 A4P 0.580952 0.821429
109 PAP 0.579545 0.957747
110 ATR 0.579545 0.943662
111 CNA 0.579439 0.932432
112 ADP BMA 0.578947 0.945205
113 5AS 0.576471 0.77907
114 4UU 0.574257 0.92
115 5N5 0.573333 0.819444
116 7D3 0.571429 0.88
117 4TC 0.571429 0.896104
118 T5A 0.570093 0.841463
119 139 0.570093 0.873418
120 COD 0.568807 0.811765
121 JB6 0.56701 0.883117
122 5CD 0.565789 0.805556
123 A4D 0.565789 0.819444
124 EP4 0.564103 0.753247
125 LAQ 0.563107 0.8625
126 NA7 0.5625 0.932432
127 TYM 0.561905 0.932432
128 YLP 0.557692 0.841463
129 A A 0.556701 0.917808
130 G5A 0.555556 0.77907
131 4UW 0.552381 0.884615
132 ATP A A A 0.55 0.930556
133 AVV 0.547368 0.896104
134 A3P 0.546512 0.943662
135 MYR AMP 0.545455 0.839506
136 7D5 0.54321 0.853333
137 G1R 0.542553 0.907895
138 UPA 0.542056 0.907895
139 YLB 0.542056 0.841463
140 YLC 0.542056 0.8625
141 NAD 0.540541 0.931507
142 AMP DBH 0.539216 0.918919
143 TAD 0.538462 0.884615
144 DTA 0.5375 0.786667
145 M2T 0.5375 0.734177
146 3DH 0.536585 0.773333
147 AYB 0.536364 0.831325
148 EAD 0.533898 0.873418
149 AHZ 0.533333 0.839506
150 FB0 0.532787 0.784091
151 IOT 0.53211 0.831325
152 A3D 0.530973 0.918919
153 MTA 0.530864 0.773333
154 3AM 0.53012 0.902778
155 TYR AMP 0.529412 0.906667
156 AR6 AR6 0.528846 0.944444
157 A2P 0.528736 0.929577
158 YLA 0.527273 0.841463
159 6AD 0.526882 0.884615
160 PPS 0.526882 0.85
161 BTX 0.526786 0.819277
162 NAE 0.525862 0.894737
163 BT5 0.522124 0.831325
164 A5A 0.521277 0.807229
165 TSB 0.520833 0.819277
166 6RE 0.517647 0.7375
167 P1H 0.516393 0.851852
168 3AT 0.516129 0.944444
169 SSA 0.515789 0.8
170 7MD 0.514286 0.886076
171 VMS 0.510417 0.788235
172 54H 0.510417 0.788235
173 52H 0.510417 0.77907
174 NSS 0.510204 0.8
175 NAQ 0.508475 0.871795
176 ZAS 0.505882 0.766234
177 IMO 0.505747 0.902778
178 A3N 0.505747 0.786667
179 J7C 0.505747 0.746835
180 AV2 0.505263 0.891892
181 53H 0.505155 0.77907
182 5CA 0.505155 0.8
183 ARU 0.50505 0.8375
184 ARG AMP 0.504673 0.829268
185 ALF ADP 3PG 0.504587 0.860759
186 AF3 ADP 3PG 0.504587 0.860759
187 LA8 ALF 3PG 0.504587 0.860759
188 YLY 0.504274 0.831325
189 ZID 0.504202 0.918919
190 2AM 0.5 0.916667
191 S4M 0.5 0.666667
192 DTP 0.5 0.88
193 FDA 0.5 0.811765
194 LPA AMP 0.5 0.839506
195 V3L 0.5 0.971831
196 FNK 0.496183 0.784091
197 6FA 0.496063 0.841463
198 DZD 0.495652 0.884615
199 P5A 0.49505 0.744444
200 LSS 0.494949 0.761364
201 DSZ 0.494949 0.821429
202 MAO 0.494382 0.759036
203 DSH 0.494253 0.725
204 M24 0.491525 0.873418
205 NJP 0.491228 0.92
206 NVA LMS 0.49 0.761364
207 DAT 0.48913 0.88
208 5X8 0.48913 0.786667
209 FAD 0.488372 0.851852
210 FAS 0.488372 0.851852
211 SFD 0.488372 0.734043
212 NAJ PZO 0.487179 0.848101
213 0WD 0.486957 0.896104
214 NPW 0.486726 0.8625
215 7MC 0.486486 0.864198
216 LEU LMS 0.485149 0.761364
217 7DT 0.483871 0.957747
218 7DD 0.483516 0.957747
219 GJV 0.483146 0.728395
220 OVE 0.482759 0.88
221 5AD 0.480519 0.746479
222 GSU 0.480392 0.8
223 KAA 0.480392 0.752809
224 NDE 0.48 0.906667
225 N0B 0.479339 0.841463
226 A5D 0.478723 0.786667
227 NAD IBO 0.478261 0.87013
228 ODP 0.478261 0.884615
229 RGT 0.47619 0.958904
230 XNP 0.474138 0.85
231 4TA 0.474138 0.807229
232 NDP 0.473684 0.896104
233 62F 0.473684 0.8625
234 SFG 0.473118 0.773333
235 NDC 0.472441 0.871795
236 YSA 0.471698 0.77907
237 ENP 0.470588 0.918919
238 FAY 0.470149 0.8625
239 TXP 0.469565 0.896104
240 NZQ 0.469565 0.884615
241 DDS 0.46875 0.853333
242 A7D 0.467391 0.776316
243 RFL 0.466667 0.821429
244 ENQ 0.466019 0.943662
245 AAT 0.463918 0.707317
246 SA8 0.463158 0.728395
247 7C5 0.462963 0.818182
248 MHZ 0.462366 0.697674
249 71V 0.461538 0.883117
250 G A A A 0.461538 0.848101
251 F2N 0.460993 0.793103
252 NEC 0.460674 0.746667
253 A3G 0.460674 0.8
254 GGZ 0.46 0.825
255 NAJ PYZ 0.459016 0.85
256 SAH 0.458333 0.766234
257 6C6 0.458333 0.857143
258 SAI 0.458333 0.75641
259 P5F 0.457143 0.823529
260 Y3J 0.45679 0.726027
261 A A A 0.456311 0.905405
262 PO4 PO4 A A A A PO4 0.456311 0.902778
263 7D7 0.455696 0.743243
264 SMM 0.454545 0.705882
265 V1N 0.453704 0.944444
266 6IA 0.453608 0.814815
267 SAM 0.453608 0.710843
268 WSA 0.451327 0.788235
269 EEM 0.44898 0.710843
270 PGS 0.446809 0.858974
271 DCA 0.446281 0.802326
272 ETB 0.446281 0.811765
273 U A G G 0.445378 0.858974
274 2SA 0.444444 0.932432
275 DA 0.444444 0.853333
276 D5M 0.444444 0.853333
277 AMP NAD 0.443548 0.906667
278 GP3 0.443299 0.896104
279 128 0.442478 0.776471
280 4YB 0.441441 0.781609
281 GEK 0.441176 0.759494
282 Z5A 0.44 0.77907
283 30N 0.44 0.734043
284 S7M 0.44 0.710843
285 AAM 0.43956 0.943662
286 0T1 0.439024 0.802326
287 COA 0.439024 0.802326
288 FA9 0.4375 0.841463
289 12D 0.4375 0.785714
290 AMZ 0.436782 0.890411
291 C2R 0.436782 0.90411
292 A3S 0.43617 0.810811
293 N6P 0.432692 0.888889
294 PUA 0.430894 0.860759
295 PLP AAD 0.429752 0.741573
296 AMX 0.428571 0.811765
297 AIR 0.428571 0.875
298 TAP 0.428571 0.883117
299 1DG 0.428571 0.896104
300 A6D 0.428571 0.722892
301 DG1 0.428571 0.896104
302 COS 0.428571 0.784091
303 CAO 0.428571 0.775281
304 6K6 0.427184 0.90411
305 A3T 0.427083 0.821918
306 NIA 0.426966 0.8
307 649 0.426087 0.744444
308 GTP 0.425743 0.894737
309 CMX 0.425197 0.823529
310 SCO 0.425197 0.823529
311 G2R 0.424528 0.860759
312 GDP 0.424242 0.894737
313 7RA 0.423913 0.930556
314 0UM 0.423077 0.719512
315 OXK 0.423077 0.804598
316 ACO 0.421875 0.775281
317 FCX 0.421875 0.795455
318 FAM 0.421875 0.784091
319 GCP 0.421569 0.871795
320 NAP 0.420635 0.918919
321 SXZ 0.420561 0.731707
322 GNH 0.42 0.883117
323 62X 0.419048 0.686047
324 APU 0.418803 0.87013
325 A U 0.418803 0.87013
326 HAX 0.418605 0.784091
327 GDD 0.418182 0.884615
328 GKE 0.418182 0.884615
329 GDC 0.418182 0.884615
330 101 0.417582 0.853333
331 GSP 0.417476 0.85
332 2MC 0.416667 0.75
333 3AD 0.416667 0.805556
334 FYN 0.415385 0.802326
335 3KK 0.415385 0.784091
336 G2Q 0.415094 0.860759
337 K15 0.415094 0.702381
338 NA0 0.414062 0.906667
339 IVC 0.413534 0.793103
340 S8M 0.413462 0.759494
341 NHD 0.413223 0.905405
342 7RP 0.413043 0.901408
343 COK 0.412214 0.784091
344 CA6 0.412214 0.71134
345 MCD 0.412214 0.804598
346 SOP 0.412214 0.784091
347 NMX 0.409091 0.741935
348 CMC 0.409091 0.804598
349 1VU 0.409091 0.775281
350 CO6 0.409091 0.784091
351 AS 0.408602 0.810127
352 CNV FAD 0.408451 0.772727
353 ACK 0.406593 0.861111
354 QQY 0.406593 0.815789
355 6YU 0.40625 0.734043
356 SCD 0.406015 0.823529
357 CAJ 0.406015 0.804598
358 NAD BBN 0.405797 0.841463
359 8BR 0.404255 0.881579
360 GNP 0.403846 0.871795
361 APX 0.40367 0.907895
362 TM1 0.40367 0.77381
363 KB1 0.40367 0.719512
364 SLU 0.403226 0.770115
365 3HC 0.402985 0.793103
366 1HE 0.402985 0.766667
367 MLC 0.402985 0.804598
368 BCO 0.402985 0.784091
369 A1S 0.402985 0.784091
370 1CZ 0.402878 0.795455
371 CC5 0.402439 0.816901
372 NMN AMP PO4 0.401639 0.87013
373 FAQ 0.40146 0.784091
374 CAA 0.4 0.793103
375 COO 0.4 0.784091
376 2BA 0.4 0.915493
377 MCA 0.4 0.795455
378 YE1 0.4 0.793103
379 CMP 0.4 0.901408
380 NAD CJ3 0.4 0.811765
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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