Receptor
PDB id Resolution Class Description Source Keywords
5H6S 1.8 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF HYDRAZIDASE S179A MUTANT COMPLEXED WITH SUBSTRATE MICROBACTERIUM SP. HM58-2 HYDROLASE AMIDASE
Ref.: STRUCTURAL BASIS OF THE SUBSTRATE RECOGNITION OF HY ISOLATED FROM MICROBACTERIUM SP. STRAIN HM58-2, WHI CATALYZES ACYLHYDRAZIDE COMPOUNDS AS ITS SOLE CARBO BIOCHEM. BIOPHYS. RES. V. 482 1007 2017 COMMUN.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HDH B:601;
D:501;
A:600;
C:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
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152.151 C7 H8 N2 O2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H6S 1.8 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF HYDRAZIDASE S179A MUTANT COMPLEXED WITH SUBSTRATE MICROBACTERIUM SP. HM58-2 HYDROLASE AMIDASE
Ref.: STRUCTURAL BASIS OF THE SUBSTRATE RECOGNITION OF HY ISOLATED FROM MICROBACTERIUM SP. STRAIN HM58-2, WHI CATALYZES ACYLHYDRAZIDE COMPOUNDS AS ITS SOLE CARBO BIOCHEM. BIOPHYS. RES. V. 482 1007 2017 COMMUN.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5H6S - HDH C7 H8 N2 O2 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5H6S - HDH C7 H8 N2 O2 c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5H6S - HDH C7 H8 N2 O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HDH; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HDH 1 1
2 HBD 0.5 0.758621
3 NIZ 0.485714 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5H6S; Ligand: HDH; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 5h6s.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G5S FAD 0.02761 0.41912 1.58014
2 5DY5 5GR 0.0296 0.43758 1.64474
3 5J7X FAD 0.04296 0.41261 1.6632
4 4A1O JLN 0.01347 0.41955 1.8711
5 2Q28 ADP 0.04933 0.4134 1.8711
6 1JS4 BGC 0.02197 0.41167 1.8711
7 2RGX AP5 0.048 0.40834 1.94175
8 3KLJ FAD 0.04706 0.40332 2.07792
9 5KMS FAD 0.02632 0.42207 2.22222
10 2QQF A1R 0.0112 0.43337 2.27273
11 2NVK FAD 0.04588 0.43277 2.2869
12 3Q9T FAY 0.02976 0.41731 2.2869
13 4G2R H1L 0.009245 0.42826 2.32558
14 1GPE FAD 0.02796 0.42534 2.4948
15 3ZG6 APR 0.005532 0.44237 2.7027
16 2OHH FMN 0.006207 0.44081 2.72277
17 4BUZ OAD 0.01081 0.43936 2.84553
18 4BUZ NAD 0.009232 0.43936 2.84553
19 1YC5 NCA 0.01316 0.43064 2.84553
20 3RIY NAD 0.01149 0.43788 2.9304
21 1S7G NAD 0.01237 0.43758 3.16206
22 1S7G APR 0.01433 0.43552 3.16206
23 3LZW FAD 0.03148 0.43865 3.31325
24 4Z24 FAD 0.03068 0.41965 3.3264
25 1PS9 NAP 0.02811 0.41053 3.3264
26 2VBA P4T 0.01022 0.43178 3.44828
27 4D9C PMP 0.03127 0.40277 3.80117
28 2HK9 NAP 0.03831 0.40469 4
29 2BRY FAD 0.01542 0.42769 4.158
30 4TXI FAD 0.01673 0.42531 4.158
31 3TKY SAH 0.02348 0.40771 4.34783
32 4P7R NAG NAG NAG NAG 0.02891 0.40423 4.35967
33 4ZGS NAD 0.03792 0.40024 4.40415
34 4EUE NAI 0.03176 0.41097 4.54545
35 1U9Q 186 0.02526 0.40316 4.65116
36 3S5W FAD 0.01139 0.43579 4.75162
37 1M2K APR 0.0065 0.44829 5.22088
38 1T44 ATP 0.03229 0.40114 6.80272
39 4TQG NDP 0.01045 0.43664 6.81115
40 4JSR 1NQ 0.03996 0.42611 7.36842
41 2A92 NAI 0.04654 0.40417 7.47664
42 1PZG A3D 0.04156 0.41267 7.55287
43 1PKX XMP 0.01669 0.41296 7.69231
44 4HDQ GNP 0.02878 0.40909 8.38323
45 4XUB 43D 0.008424 0.41425 9.40171
46 1Z83 AP5 0.04231 0.40252 10.2041
47 5T2U NAP 0.03205 0.41481 10.8871
48 5G4R LF1 0.01354 0.40658 11.8644
49 1D4O NAP 0.02737 0.40907 12.5
50 5J8O 6GZ 0.01808 0.4037 22.5806
51 5LJ0 6XX 0.01158 0.42452 25.3846
52 3A2Q ACA ACA 0.001791 0.49322 25.5717
53 1O9P MLA 0.00001013 0.566 27.5362
54 3ZLQ 6T9 0.0116 0.42072 29.5082
55 4GYS MLI 0.000002933 0.58653 41.1642
56 4ISS TAR 0.000002342 0.57918 41.3721
57 4CP8 MLI 0.0000006112 0.61893 42.2037
58 4YJI TYL 0.00004471 0.54414 45.1143
59 2FF6 ATP 0.03361 0.40009 46.1538
60 2PAV ATP 0.03624 0.40908 50
Pocket No.: 2; Query (leader) PDB : 5H6S; Ligand: HDH; 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: 5h6s.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5H6S; Ligand: HDH; Similar sites found: 13
This union binding pocket(no: 3) in the query (biounit: 5h6s.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1YQD NAP 0.03305 0.41172 2.18579
2 4BUZ OCZ 0.02267 0.41837 2.84553
3 3MN7 ATP 0.02814 0.40278 3.47594
4 1Q9I TEO 0.02106 0.44097 4.02802
5 1Q9I FAD 0.02106 0.44097 4.02802
6 4KXQ APR 0.0134 0.41955 4.27046
7 4USI AKG 0.002967 0.4099 8.44156
8 3BGD SAH 0.01787 0.40977 14.2308
9 5A8R TP7 0.03983 0.40731 14.717
10 3POT TXZ 0.04394 0.407 14.8594
11 3POT COM 0.04394 0.407 14.8594
12 4B1W ATP 0.02076 0.40967 18.75
13 2Q97 ATP 0.02243 0.40792 34.1085
Pocket No.: 4; Query (leader) PDB : 5H6S; Ligand: HDH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5h6s.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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