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 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
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(=O)...
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 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: NAD IBO; Similar ligands found: 259
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD IBO 1 1
2 NAD TDB 1 1
3 NAD 0.885714 0.985915
4 AMP NAD 0.833333 0.985915
5 A3D 0.769912 0.972222
6 NAJ 0.75 0.985915
7 N01 0.732759 0.985915
8 DND 0.727273 0.958904
9 NHD 0.721739 0.958333
10 NAP 0.716667 0.972222
11 NFD 0.694915 0.933333
12 NAD BBN 0.661654 0.864198
13 NAD CJ3 0.651852 0.833333
14 ZID 0.648 0.972222
15 NAQ 0.64 0.921053
16 NAE 0.632 0.945946
17 ADP PO3 0.627451 0.971429
18 ATP MG 0.627451 0.971429
19 NA0 0.625 0.958904
20 NAD NDT 0.622378 0.744681
21 BEF ADP 0.621359 0.944444
22 ADP MG 0.62 0.971429
23 ADP BEF 0.62 0.971429
24 VO4 ADP 0.619048 0.918919
25 TAP 0.617188 0.907895
26 NDC 0.609023 0.921053
27 CNA 0.606557 0.958904
28 NDE 0.606061 0.958904
29 ALF ADP 0.603774 0.894737
30 NDO 0.589147 0.945205
31 GAP 0.584906 0.945205
32 ANP MG 0.574074 0.931507
33 ADP BMA 0.566372 0.945205
34 8ID 0.560976 0.909091
35 AMP MG 0.56 0.957143
36 NAJ PZO 0.55814 0.921053
37 ATP A A A 0.555556 0.985714
38 ATP A 0.555556 0.985714
39 AHZ 0.553719 0.8625
40 ABM 0.54902 0.891892
41 45A 0.54902 0.891892
42 DAL AMP 0.544643 0.958333
43 NBP 0.540741 0.909091
44 ALF ADP 3PG 0.540323 0.884615
45 NGD 0.539683 0.909091
46 MYR AMP 0.538462 0.8625
47 AR6 AR6 0.53719 0.971831
48 A 0.534653 0.916667
49 AMP 0.534653 0.916667
50 A2D 0.533981 0.944444
51 ADP 0.533333 0.917808
52 AN2 0.528302 0.905405
53 AF3 ADP 3PG 0.528 0.884615
54 9JJ 0.526667 0.886076
55 OOB 0.526316 0.958333
56 NMN 0.524752 0.861111
57 BA3 0.52381 0.944444
58 CA0 0.523364 0.918919
59 M33 0.523364 0.905405
60 APC MG 0.522936 0.944444
61 AMP DBH 0.520661 0.918919
62 B4P 0.518868 0.944444
63 AP5 0.518868 0.944444
64 KG4 0.518519 0.918919
65 NAJ PYZ 0.518519 0.875
66 8LQ 0.517544 0.906667
67 SON 0.514019 0.906667
68 AT4 0.514019 0.881579
69 AP2 0.509434 0.881579
70 A12 0.509434 0.881579
71 8LE 0.508929 0.894737
72 V2G 0.508929 0.871795
73 WAQ 0.508475 0.883117
74 DQV 0.508065 0.958333
75 HEJ 0.504587 0.917808
76 ATP 0.504587 0.917808
77 ACP 0.504587 0.893333
78 QA7 0.504348 0.894737
79 DLL 0.504274 0.958333
80 APC 0.5 0.881579
81 4TA 0.5 0.875
82 SRA 0.5 0.868421
83 LPA AMP 0.5 0.8625
84 ARG AMP 0.5 0.851852
85 AR6 0.5 0.917808
86 APR 0.5 0.917808
87 5FA 0.5 0.917808
88 AQP 0.5 0.917808
89 9SN 0.495868 0.896104
90 5AL 0.495575 0.931507
91 AD9 0.495495 0.893333
92 AGS 0.495495 0.87013
93 ADX 0.495413 0.82716
94 AU1 0.495413 0.893333
95 NJP 0.492424 0.945946
96 1ZZ 0.491667 0.839506
97 00A 0.491525 0.907895
98 50T 0.490909 0.88
99 3UK 0.487395 0.945205
100 OAD 0.487395 0.918919
101 9ZD 0.487179 0.883117
102 9ZA 0.487179 0.883117
103 SRP 0.486957 0.906667
104 8LH 0.486957 0.906667
105 TAT 0.486726 0.881579
106 ANP 0.486726 0.893333
107 ACQ 0.486726 0.893333
108 T99 0.486726 0.881579
109 PRX 0.486486 0.868421
110 B5V 0.483333 0.932432
111 A1R 0.483051 0.858974
112 RBY 0.482143 0.881579
113 ADV 0.482143 0.881579
114 FA5 0.479675 0.932432
115 B5M 0.479675 0.92
116 3OD 0.479339 0.918919
117 Z5A 0.478571 0.843373
118 ATF 0.478261 0.881579
119 PO4 PO4 A A A A PO4 0.475 0.957143
120 9X8 0.475 0.87013
121 8QN 0.474576 0.931507
122 6YZ 0.474138 0.893333
123 PR8 0.471074 0.85
124 4AD 0.470588 0.92
125 A3R 0.470588 0.858974
126 PAJ 0.470588 0.860759
127 AMO 0.470588 0.906667
128 HQG 0.470085 0.905405
129 FYA 0.467213 0.905405
130 NMN AMP PO4 0.466667 0.945946
131 AHX 0.466667 0.871795
132 JNT 0.466667 0.893333
133 A22 0.466102 0.931507
134 MAP 0.466102 0.87013
135 DZD 0.463235 0.884615
136 LMS 0.462264 0.804878
137 5SV 0.462185 0.825
138 NAI 0.461538 0.907895
139 NAX 0.461538 0.873418
140 LAD 0.459016 0.860759
141 ADQ 0.458333 0.918919
142 TXE 0.458015 0.907895
143 LAQ 0.457364 0.839506
144 B5Y 0.456 0.92
145 NB8 0.455285 0.871795
146 PTJ 0.455285 0.871795
147 TXA 0.455285 0.906667
148 ME8 0.455285 0.839506
149 8X1 0.453782 0.752809
150 AOC 0.453704 0.821918
151 7MD 0.453125 0.839506
152 4UU 0.453125 0.92
153 G5A 0.452174 0.77907
154 LEU LMS 0.45082 0.770115
155 5AS 0.45045 0.758621
156 6V0 0.450382 0.896104
157 OZV 0.45 0.917808
158 25A 0.45 0.944444
159 GTA 0.449612 0.886076
160 4UV 0.448819 0.92
161 F2R 0.448529 0.819277
162 IOT 0.447761 0.809524
163 TYM 0.44697 0.932432
164 OMR 0.44697 0.829268
165 DSZ 0.446281 0.77907
166 54H 0.445378 0.788235
167 VMS 0.445378 0.788235
168 G3A 0.445312 0.896104
169 8PZ 0.444444 0.8
170 NNR 0.444444 0.75
171 139 0.444444 0.873418
172 BIS 0.443548 0.858974
173 G5P 0.44186 0.896104
174 AFH 0.44186 0.860759
175 TSB 0.441667 0.797619
176 XAH 0.440945 0.839506
177 A5A 0.440678 0.807229
178 25L 0.44 0.931507
179 M24 0.439716 0.873418
180 4UW 0.439394 0.884615
181 TXD 0.439394 0.907895
182 H1Q 0.438596 0.90411
183 TAD 0.438462 0.860759
184 V47 0.436975 0.833333
185 SSA 0.436975 0.77907
186 NDP DTT 0.436242 0.864198
187 649 0.43609 0.764045
188 5N5 0.435644 0.794521
189 ENQ 0.435484 0.916667
190 P5A 0.435484 0.744444
191 NCN 0.435185 0.791667
192 LSS 0.434426 0.761364
193 A7R 0.434109 0.844156
194 52H 0.433333 0.77907
195 KMQ 0.433071 0.881579
196 9K8 0.432 0.752809
197 JB6 0.432 0.883117
198 48N 0.431818 0.871795
199 BT5 0.431655 0.809524
200 5CD 0.431373 0.805556
201 GA7 0.430769 0.881579
202 XYA 0.43 0.819444
203 ADN 0.43 0.819444
204 RAB 0.43 0.819444
205 5CA 0.429752 0.77907
206 53H 0.429752 0.77907
207 B1U 0.429688 0.775281
208 YSA 0.429688 0.8
209 80F 0.428571 0.841463
210 CNV FAD 0.427673 0.813953
211 EAD 0.424658 0.873418
212 GSU 0.424 0.77907
213 NSS 0.422764 0.8
214 L3W 0.422222 0.906667
215 AP0 0.422222 0.871795
216 7MC 0.422222 0.819277
217 FAD T2C 0.421687 0.769231
218 YLP 0.421053 0.819277
219 NVA LMS 0.419355 0.772727
220 A4P 0.419118 0.821429
221 PAP 0.418803 0.90411
222 DAL FAD PER 0.418182 0.786517
223 UP5 0.41791 0.92
224 A4D 0.417476 0.794521
225 FAD NBT 0.416149 0.769231
226 A3P 0.415929 0.916667
227 DTA 0.415094 0.810811
228 WSA 0.414815 0.809524
229 COA FLC 0.413793 0.811765
230 P1H 0.413333 0.851852
231 T5A 0.413043 0.841463
232 KAA 0.412698 0.752809
233 P6G FDA 0.412121 0.813953
234 YLC 0.411765 0.839506
235 YLB 0.411765 0.819277
236 4TC 0.411765 0.896104
237 MTA 0.411215 0.773333
238 D4F 0.406897 0.8625
239 FAD CNX 0.406061 0.744681
240 4YB 0.406015 0.781609
241 EP4 0.40566 0.753247
242 6RE 0.405405 0.759494
243 COD 0.404255 0.790698
244 BTX 0.404255 0.819277
245 3DH 0.40367 0.773333
246 P33 FDA 0.403614 0.786517
247 QXP 0.403226 0.764706
248 YLA 0.402878 0.819277
249 ADJ 0.402878 0.829268
250 M2T 0.401869 0.75641
251 5X8 0.401709 0.786667
252 SMM 0.401639 0.72619
253 R2V 0.401575 0.764706
254 UPA 0.40146 0.907895
255 N0B 0.401361 0.841463
256 3AM 0.4 0.876712
257 YLY 0.4 0.809524
258 AYB 0.4 0.809524
259 SAM 0.4 0.731707
Similar Ligands (3D)
Ligand no: 1; Ligand: NAD IBO; 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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