Receptor
PDB id Resolution Class Description Source Keywords
2JHG 1.2 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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD IBO A:403;
B:403;
Valid;
Valid;
none;
none;
submit data
749.544 n/a [P+](...
ZN A:401;
A:402;
B:401;
B:402;
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: NAD IBO; Similar ligands found: 213
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD IBO 1 1
2 NAD 0.845455 0.933333
3 NAJ PYZ 0.842105 0.876543
4 A3D 0.752137 0.946667
5 NAJ 0.717949 0.933333
6 N01 0.716667 0.959459
7 AMP NAD 0.715447 0.96
8 DND 0.695652 0.909091
9 NXX 0.695652 0.909091
10 NHD 0.691667 0.907895
11 NAP 0.688 0.921053
12 NFD 0.666667 0.886076
13 NAQ 0.653543 0.923077
14 NAD BBN 0.637681 0.823529
15 NAD CJ3 0.628571 0.795455
16 ZID 0.623077 0.921053
17 NAE 0.620155 0.922078
18 NA0 0.613636 0.934211
19 NAD NDT 0.612245 0.731959
20 CNA 0.608 0.909091
21 NDC 0.59854 0.875
22 ADP PO3 0.598131 0.918919
23 NDE 0.595588 0.909091
24 TAP 0.593985 0.8625
25 ATP MG 0.592593 0.907895
26 NAD TDB 0.589404 0.682692
27 ADP MG 0.584906 0.907895
28 BEF ADP 0.579439 0.884615
29 ADP BEF 0.579439 0.884615
30 ALF ADP 0.576577 0.85
31 ADP ALF 0.576577 0.85
32 VO4 ADP 0.571429 0.883117
33 ADP VO4 0.571429 0.883117
34 NDO 0.567164 0.896104
35 DAL AMP 0.561404 0.933333
36 GAP 0.558559 0.896104
37 8ID 0.551181 0.864198
38 AHZ 0.544 0.843373
39 ANP MG 0.54386 0.873418
40 ADP BMA 0.542373 0.896104
41 ABM 0.537736 0.87013
42 NAJ PZO 0.537313 0.875
43 ATP A A A 0.532787 0.932432
44 ALF ADP 3PG 0.53125 0.841463
45 LA8 ALF 3PG 0.53125 0.841463
46 MYR AMP 0.528926 0.843373
47 AMP MG 0.528302 0.894737
48 NBP 0.521429 0.864198
49 AF3 ADP 3PG 0.51938 0.841463
50 NGD 0.519084 0.864198
51 TYR AMP 0.516129 0.909091
52 AR6 AR6 0.515873 0.92
53 M33 0.513514 0.883117
54 5AL 0.513043 0.907895
55 AMP DBH 0.512 0.871795
56 A 0.509434 0.868421
57 AMP 0.509434 0.868421
58 A2D 0.509259 0.894737
59 ADP 0.509091 0.87013
60 AN2 0.504505 0.858974
61 OOB 0.504202 0.907895
62 NMN 0.5 0.815789
63 CA0 0.5 0.871795
64 BA3 0.5 0.894737
65 B4P 0.495495 0.894737
66 AP5 0.495495 0.894737
67 4TA 0.492647 0.855422
68 8QN 0.491667 0.907895
69 SON 0.491071 0.860759
70 A A 0.487805 0.894737
71 WAQ 0.487805 0.839506
72 A12 0.486486 0.8375
73 AP2 0.486486 0.8375
74 ARG AMP 0.484615 0.811765
75 1ZZ 0.483871 0.821429
76 3OD 0.483871 0.896104
77 DLL 0.483607 0.907895
78 ACP 0.482456 0.848101
79 ATP 0.482456 0.87013
80 LPA AMP 0.480916 0.821429
81 OAD 0.479675 0.896104
82 SRP 0.478992 0.860759
83 AR6 0.478261 0.87013
84 PRX 0.478261 0.848101
85 APC 0.478261 0.8375
86 APR 0.478261 0.87013
87 5FA 0.478261 0.87013
88 AQP 0.478261 0.87013
89 SRA 0.477064 0.825
90 9SN 0.47619 0.851852
91 PAJ 0.47541 0.8875
92 NJP 0.474453 0.897436
93 SAP 0.474138 0.82716
94 AD9 0.474138 0.848101
95 AGS 0.474138 0.82716
96 AU1 0.473684 0.848101
97 ADX 0.473684 0.788235
98 FA5 0.472441 0.884615
99 Z5A 0.472222 0.825581
100 TXA 0.472 0.884615
101 00A 0.471545 0.8625
102 50T 0.469565 0.835443
103 3UK 0.467742 0.896104
104 ANP 0.466102 0.848101
105 ACQ 0.466102 0.848101
106 TAT 0.466102 0.8375
107 4AD 0.463415 0.873418
108 AMO 0.463415 0.860759
109 A1R 0.463415 0.817073
110 VMS 0.46281 0.813953
111 54H 0.46281 0.813953
112 RBY 0.461538 0.8375
113 ADV 0.461538 0.8375
114 YAP 0.460938 0.873418
115 FYA 0.460317 0.858974
116 PTJ 0.460317 0.898734
117 ME8 0.460317 0.821429
118 AHX 0.459677 0.829268
119 TSB 0.459016 0.781609
120 A5A 0.458333 0.790698
121 ATF 0.458333 0.8375
122 PO4 PO4 A A A A PO4 0.456 0.905405
123 5SV 0.455285 0.807229
124 LAD 0.452381 0.819277
125 PR8 0.452381 0.809524
126 TXE 0.451852 0.8625
127 LSS 0.451613 0.786517
128 DAL FAD PER 0.450617 0.879518
129 NMN AMP PO4 0.45 0.897436
130 G A A A 0.45 0.875
131 NB8 0.448819 0.829268
132 48N 0.447761 0.851852
133 A22 0.447154 0.883117
134 MAP 0.447154 0.82716
135 7MD 0.44697 0.8
136 AFH 0.44697 0.819277
137 DZD 0.446809 0.841463
138 LEU LMS 0.444444 0.806818
139 NAI 0.444444 0.8625
140 NAX 0.444444 0.831325
141 GTA 0.443609 0.865854
142 5AS 0.443478 0.744444
143 IOT 0.442029 0.772727
144 OMR 0.441176 0.811765
145 TYM 0.441176 0.884615
146 LAQ 0.440298 0.8
147 ADQ 0.44 0.871795
148 DSZ 0.44 0.744444
149 52H 0.439024 0.804598
150 AP0 0.437956 0.851852
151 U A G G 0.43662 0.886076
152 4UU 0.43609 0.873418
153 53H 0.435484 0.804598
154 XAH 0.435115 0.8
155 4UW 0.433824 0.864198
156 TXD 0.433824 0.8625
157 6V0 0.433824 0.851852
158 AOC 0.433628 0.779221
159 G5A 0.433333 0.744444
160 TAD 0.432836 0.819277
161 CNV FAD 0.432099 0.818182
162 25A 0.432 0.894737
163 4UV 0.431818 0.873418
164 SSA 0.430894 0.744444
165 ENQ 0.429688 0.868421
166 FAD NBT 0.429448 0.774194
167 139 0.428571 0.831325
168 G3A 0.428571 0.851852
169 7MC 0.427536 0.802326
170 YLP 0.426471 0.802326
171 JB6 0.426357 0.839506
172 BIS 0.426357 0.817073
173 G5P 0.425373 0.851852
174 NVA LMS 0.425197 0.766667
175 M24 0.424658 0.831325
176 YSA 0.424242 0.764045
177 5CA 0.424 0.744444
178 NNR 0.423077 0.710526
179 25L 0.423077 0.883117
180 A A A 0.421875 0.883117
181 649 0.42029 0.731183
182 EAD 0.42 0.853659
183 GSU 0.418605 0.744444
184 P5A 0.418605 0.712766
185 NSS 0.417323 0.764045
186 YLC 0.417266 0.821429
187 YLB 0.417266 0.802326
188 P6G FDA 0.416667 0.818182
189 BT5 0.416667 0.772727
190 NCN 0.415929 0.75
191 5N5 0.415094 0.753247
192 YLY 0.414966 0.793103
193 5CD 0.411215 0.763158
194 FAD CNX 0.410714 0.75
195 WSA 0.410072 0.772727
196 COD 0.409722 0.816092
197 RAB 0.409524 0.776316
198 ADN 0.409524 0.776316
199 XYA 0.409524 0.776316
200 P1H 0.409091 0.833333
201 T5A 0.408451 0.823529
202 SMM 0.408 0.732558
203 KAA 0.407692 0.72043
204 SAM 0.406504 0.717647
205 AYB 0.405594 0.793103
206 MTA 0.405405 0.75641
207 A4P 0.404255 0.784091
208 A U 0.404255 0.897436
209 FB0 0.403846 0.769231
210 UP5 0.402878 0.873418
211 PAP 0.401639 0.857143
212 EP4 0.4 0.782051
213 P33 FDA 0.4 0.752688
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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