Receptor
PDB id Resolution Class Description Source Keywords
1HSR 1.6 Å EC: 1.11.1.7 BINDING MODE OF BENZHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS P -prime ARTHROMYCES RAMOSUS-prime OXIDOREDUCTASE GLYCOPROTEIN PEROXIDASE
Ref.: BINDING MODE OF BENZHYDROXAMIC ACID TO ARTHROMYCES PEROXIDASE SHOWN BY X-RAY CRYSTALLOGRAPHIC ANALYSIS COMPLEX AT 1.6 A RESOLUTION. FEBS LETT. V. 412 107 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHO A:800;
Valid;
none;
submit data
137.136 C7 H7 N O2 c1ccc...
CA A:346;
A:347;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
HEM A:345;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
NAG NAG A:348;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HSR 1.6 Å EC: 1.11.1.7 BINDING MODE OF BENZHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS P -prime ARTHROMYCES RAMOSUS-prime OXIDOREDUCTASE GLYCOPROTEIN PEROXIDASE
Ref.: BINDING MODE OF BENZHYDROXAMIC ACID TO ARTHROMYCES PEROXIDASE SHOWN BY X-RAY CRYSTALLOGRAPHIC ANALYSIS COMPLEX AT 1.6 A RESOLUTION. FEBS LETT. V. 412 107 1997
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1HSR - BHO C7 H7 N O2 c1ccc(cc1)....
2 1CK6 - SHA C7 H7 N O3 c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1HSR - BHO C7 H7 N O2 c1ccc(cc1)....
2 1CK6 - SHA C7 H7 N O3 c1ccc(c(c1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4G05 - JZ3 C7 H8 O2 COc1ccccc1....
2 1HSR - BHO C7 H7 N O2 c1ccc(cc1)....
3 1CK6 - SHA C7 H7 N O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BHO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 BHO 1 1
2 069 0.421053 0.8
3 SHA 0.405405 0.685714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HSR; Ligand: BHO; Similar sites found: 96
This union binding pocket(no: 1) in the query (biounit: 1hsr.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BEO UDP 0.005718 0.43566 1.45349
2 5W4W 9WG 0.03407 0.40577 1.51057
3 1Q8Y ADP 0.009498 0.42879 1.74419
4 4GA6 AMP 0.01901 0.40891 1.74419
5 3F8D FAD 0.02226 0.44219 2.03488
6 1ADO 13P 0.01689 0.4171 2.03488
7 3ITJ FAD 0.04074 0.41429 2.07101
8 3KDU NKS 0.03778 0.41716 2.16606
9 4R98 GNH 0.004686 0.43076 2.21402
10 4UP3 FAD 0.03304 0.41846 2.2293
11 1DMH MCT 0.00613 0.42699 2.2508
12 2VVL FAD 0.02144 0.42409 2.32558
13 1FL2 FAD 0.02743 0.42174 2.32558
14 4Z5W TYS ILE TYS THR GLN 0.02155 0.41913 2.32558
15 2VVM FAD 0.02757 0.41342 2.32558
16 2VK4 TPP 0.02114 0.42104 2.61628
17 1ZK7 FAD 0.04109 0.41556 2.61628
18 2GOU FMN 0.02815 0.41454 2.61628
19 3B9O FMN 0.01731 0.4032 2.61628
20 2C0U FAD NBT 0.04245 0.40181 2.61628
21 2J1P GRG 0.01612 0.40856 2.73038
22 2Q0L FAD 0.04582 0.41349 2.89389
23 4A2B AGS 0.007413 0.43342 2.90698
24 4A2A ATP 0.01127 0.4277 2.90698
25 3MN9 ATP 0.02494 0.40386 2.90698
26 3MN6 ATP 0.03057 0.40183 2.90698
27 3IAE D7K 0.04167 0.40075 2.98246
28 1HN4 MJI 0.04338 0.41099 3.05344
29 3ICT FAD 0.009518 0.45149 3.19767
30 1PFY MSP 0.02563 0.40083 3.19767
31 4BUZ NAD 0.04632 0.40381 3.25203
32 1XHL NDP 0.04759 0.41073 3.367
33 3HOK Q80 0.02296 0.40762 3.43348
34 4GID 0GH 0.03296 0.40207 3.48837
35 5BSH PRO 0.0422 0.4083 3.61011
36 4IAE 1DX 0.02939 0.41455 3.7037
37 5TG5 JW8 0.007174 0.41578 3.77907
38 1V59 FAD 0.04294 0.41187 3.77907
39 3VYW SAM 0.01555 0.40082 3.77907
40 3LM9 FRU 0.02915 0.40808 3.97351
41 4EMV 0R9 0.03139 0.40007 3.9823
42 5JFL NAD 0.009148 0.43865 4.06977
43 4I3V NAD 0.01178 0.42829 4.06977
44 4M52 FAD 0.0397 0.4154 4.06977
45 1G7S GDP 0.01957 0.40338 4.06977
46 4PKI ATP 0.02694 0.40163 4.06977
47 4DR9 BB2 0.01321 0.40989 4.16667
48 2DPM SAM 0.03055 0.4061 4.22535
49 3U4L ATP 0.02927 0.40316 4.28571
50 2YVF NAD 0.0364 0.43008 4.36047
51 2YVF FAD 0.03563 0.43008 4.36047
52 1KXP ATP 0.02002 0.40999 4.36047
53 5FPE 3TR 0.01913 0.40265 4.36047
54 3RI1 3RH 0.04762 0.40111 4.36047
55 5DWQ SFG 0.01231 0.41035 4.65116
56 5DX0 SFG 0.02401 0.40362 4.65116
57 4O4K 2PK 0.04528 0.4012 4.65116
58 3R5Z F42 0.03487 0.40278 4.82759
59 4HSU FAD 0.02143 0.42465 4.83871
60 1HXD BTN 0.02828 0.40103 4.98442
61 1D6H COA 0.03298 0.41157 5.16796
62 4FG8 ATP 0.02517 0.40332 5.39683
63 4PL8 ATP 0.02491 0.40423 5.47945
64 1VDC FAD 0.04455 0.42001 5.70571
65 4A3U FMN 0.02735 0.40235 5.81395
66 4JNA FAD 0.04444 0.41024 6.10465
67 1PZX PLM 0.01323 0.40359 6.22837
68 1SKQ GDP 0.005915 0.42608 6.39535
69 4I94 ANP 0.01279 0.41367 6.39535
70 2YVJ FAD 0.03535 0.41102 6.42202
71 4EMJ FAD 0.04659 0.40953 6.54206
72 1H65 GDP 0.02481 0.40763 6.68605
73 2PI8 NAG NAG NAG NAG NAG NAG 0.01814 0.41886 6.97674
74 1XKQ NDP 0.03942 0.41865 6.97674
75 1VC9 ATP 0.01829 0.40403 7.14286
76 1ZMD FAD 0.02576 0.43049 7.26744
77 3I51 45C 0.01518 0.40572 7.26744
78 4PKG ATP 0.02146 0.4081 7.52688
79 2NPX FAD 0.03076 0.41248 7.55814
80 2A3Z ATP 0.01961 0.41199 7.69231
81 5JCA NDP 0.021 0.44599 7.74648
82 5JCA FAD 0.01322 0.44599 7.74648
83 3IL6 B83 0.005945 0.43014 8.41121
84 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.0217 0.42771 9.09091
85 1P7T ACO 0.01236 0.43009 9.59302
86 3O2Q PRO THR SEP PRO SER TYR 0.01698 0.41726 10.1744
87 3NT6 FAD 0.02033 0.4234 10.7558
88 4WN5 MVC 0.02301 0.40229 11.3043
89 3RNM FAD 0.0455 0.40985 13.7931
90 2F5Z FAD 0.02862 0.42514 14.0625
91 2GAG NAD 0.0265 0.42214 16.1616
92 5L2J 70E 0.04462 0.42121 17.3469
93 5L2J 6UL 0.04284 0.42121 17.3469
94 2ISJ FMN 0.03189 0.40269 22.6087
95 2VCN ISZ 0.0004731 0.46806 29.1188
96 2D1K ATP 0.02171 0.40642 31.25
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