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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 293 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 250 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 204 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 with APoc: 125
This union binding pocket(no: 1) in the query (biounit: 5h6s.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6H3O FAD 1.4553
2 1M2W NAD 1.4553
3 3G5S FAD 1.58014
4 2Q0L FAD 1.60772
5 5DY5 5GR 1.64474
6 5J7X FAD 1.6632
7 4DXD GDP 1.76768
8 4A1O JLN 1.8711
9 1JS4 BGC 1.8711
10 1IG0 VIB 1.88088
11 2RGX AP5 1.94175
12 3U31 NAD 2.06897
13 1CSI CMX 2.06897
14 1CSI OAA 2.06897
15 3KLJ FAD 2.07792
16 6FRN FMN 2.19512
17 5KMS FAD 2.22222
18 2QQF A1R 2.27273
19 3Q9T FAY 2.2869
20 4G2R H1L 2.32558
21 9LDB NAD 2.40964
22 9LDT NAD 2.40964
23 3F5A SIA GAL NAG 2.43902
24 1SOW NAD 2.43902
25 1GPE FAD 2.4948
26 1EZ4 NAD 2.51572
27 5GVH FMN 2.54777
28 4ZFL 4NK 2.5641
29 4EI7 GDP 2.57069
30 3CQD ATP 2.589
31 6HOY AR6 2.64901
32 3ZG6 APR 2.7027
33 2WET FAD 2.7027
34 2OHH FMN 2.72277
35 4BUZ OAD 2.84553
36 4BUZ NAD 2.84553
37 1YC5 NCA 2.84553
38 6EQS BV8 2.90909
39 6EJ2 B7E 2.9106
40 3RIY NAD 2.9304
41 2YI0 YI0 3.05677
42 4OXX FMN 3.08642
43 6CI9 NAP 3.0888
44 1S7G NAD 3.16206
45 1S7G APR 3.16206
46 3KB6 NAD 3.29341
47 4Z24 FAD 3.3264
48 1PS9 NAP 3.3264
49 6C4N NAP 3.34076
50 1RYI FAD 3.40314
51 1RYI GOA 3.40314
52 1SB8 NAD 3.40909
53 1SB8 UD2 3.40909
54 2VBA P4T 3.44828
55 5WUW NAP 3.48432
56 4GID 0GH 3.60825
57 4I4Z 2NE 3.63636
58 2RGH FAD 3.7422
59 2G9Z VNP 3.7422
60 4D9C PMP 3.80117
61 3KO8 NAD 3.84615
62 2Q9U FMN 3.86473
63 4RJK PYR 3.9501
64 4RJK TPP 3.9501
65 1PVN MZP 3.98936
66 2HK9 NAP 4
67 4XTX 590 4.07407
68 3ZKI WZV 4.14508
69 2BRY FAD 4.158
70 4TXI FAD 4.158
71 4BGB ADP 4.30769
72 3TKY SAH 4.34783
73 4P7R NAG NAG NAG NAG 4.35967
74 5JWI ARG GLU 4.3659
75 4ZGS NAD 4.40415
76 4ZVV NAD 4.51807
77 4ZVV GN0 4.51807
78 4EUE NAI 4.54545
79 6B2M COA 4.54545
80 1U9Q 186 4.65116
81 3S5W FAD 4.75162
82 1GUZ NAD 4.83871
83 6EXO C3E 5.11628
84 2WGH DTP 5.1975
85 1M2K APR 5.22088
86 4JF5 FLC 5.34979
87 6F97 FAD 5.40541
88 4C5N ACP 5.43478
89 1R27 MGD 5.61331
90 1VL8 NAP 5.61798
91 4PKG ATP 5.91398
92 2OOR TXP 6.32184
93 4P5E N6P 6.57895
94 4TQG NDP 6.81115
95 6APV 3L4 6.94444
96 4JSR 1NQ 7.36842
97 1KQF MGD 7.37327
98 3U4C NDP 7.47331
99 2A92 NAI 7.47664
100 1PZG A3D 7.55287
101 5UY8 AMZ 7.69231
102 5ML0 P2L 8.18182
103 2YBQ UP2 8.21918
104 2GU8 796 8.30861
105 4HDQ GNP 8.38323
106 6FGL UO1 8.57143
107 5Z21 NAI 8.65922
108 1YAG ATP 8.8
109 4XUB 43D 9.40171
110 1Z83 AP5 10.2041
111 5T2U NAP 10.8871
112 1D4O NAP 12.5
113 4RYV ZEA 13.5484
114 2F5Z FAD 17.1875
115 3PPM JG1 25.1559
116 5LJ0 6XX 25.3846
117 3A2Q ACA ACA 25.5717
118 1O9P MLA 27.5362
119 3ZLQ 6T9 29.5082
120 3A1I UNU 40.3326
121 4GYS MLI 41.1642
122 4ISS TAR 41.3721
123 4CP8 MLI 42.2037
124 4YJI TYL 45.1143
125 2FF6 ATP 46.1538
Pocket No.: 2; Query (leader) PDB : 5H6S; Ligand: HDH; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 5h6s.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1KYZ SAH 1.36986
2 1U2Z SAH 2.07852
3 1LTH NAD 2.19436
4 4WVB GLC 2.61905
5 2R75 01G 2.66272
6 5HSA FAS 3.1185
7 4DQ2 BTX 3.35366
8 5OJ7 AR6 3.84615
9 4RJK TDL 3.9501
10 3P7N FMN 4.26357
11 4JB0 ENO 4.59459
12 2NXW TPP 4.7817
13 2JAP NDP 5.26316
14 2JAH NDP 5.26316
15 1AE1 NAP 5.49451
16 5EB4 FAD 6.23701
17 4OOP DUP 6.62651
18 4WB7 ATP 6.91358
19 3ZNN FAD 8.35735
20 3ZNN 4WL 8.35735
21 2BO4 FLC 8.56423
22 5NUF NAD 9.63855
23 1Q5H DUD 10.2041
24 2QWO ADP 10.8696
25 3DMH GMP 11.0236
26 3DMH SAM 11.0236
27 5H4J FKM 11.5854
28 4MDH NAD 13.1737
Pocket No.: 3; Query (leader) PDB : 5H6S; Ligand: HDH; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 5h6s.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5VKT NAP 1.38122
2 1YQD NAP 2.18579
3 6HOY TSN 2.64901
4 4BUZ OCZ 2.84553
5 4YT4 FE9 3.2
6 3MN7 ATP 3.47594
7 1Q9I TEO 4.02802
8 1Q9I FAD 4.02802
9 4KXQ APR 4.27046
10 2F1K NAP 4.6595
11 2JJK R15 4.73373
12 1NAA 6FA 6.02911
13 1NAA ABL 6.02911
14 2GVC FAD 6.93512
15 4USI AKG 8.44156
16 5NUE NAD 9.63855
17 3WGT QSC 12.9683
18 3WGT FAD 12.9683
19 3BGD SAH 14.2308
20 5A8R TP7 14.717
21 3POT TXZ 14.8594
22 3POT COM 14.8594
23 3POT TP7 14.8594
24 4B1W ATP 18.75
25 2Q97 ATP 34.1085
Pocket No.: 4; Query (leader) PDB : 5H6S; Ligand: HDH; Similar sites found with APoc: 27
This union binding pocket(no: 4) in the query (biounit: 5h6s.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5NMX FAD 1.41176
2 5OC1 FAD 2.2869
3 4MIB 28M 2.7027
4 6F7L FAD 2.71493
5 4URL XAM 2.95567
6 4HAQ CTR 3.01624
7 5U5G NAP 3.05085
8 4WOP CTP 3.11111
9 1ME8 RVP 3.1185
10 3MN9 ATP 3.47594
11 4J3L AJ5 4.28571
12 4FMU 0UM 4.67626
13 4B1X ATP 5.05319
14 5YPU ATP 5.16304
15 3TTZ 07N 5.55556
16 3H86 AP5 5.72917
17 1VQW FAD 6.78337
18 5HH0 COA 7.5
19 5FDZ 5X0 7.56302
20 3TA2 AKG 9.32203
21 2V51 ATP 9.375
22 2VOH CIT 11.5385
23 5N1Q TP7 12.2605
24 5MDH NAD 13.2132
25 5EIN NAP 14.8148
26 5ZZB ATP 16.9118
27 3N39 FMN 16.9935
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