-->
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: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 BHO 1 1
2 GOW 0.478261 0.666667
3 T61 0.458333 0.615385
4 GQZ 0.422222 0.727273
5 069 0.421053 0.8
6 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 with APoc: 159
This union binding pocket(no: 1) in the query (biounit: 1hsr.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3BEO UDP 1.45349
2 1Q8Y ADP 1.74419
3 3LAD FAD 1.74419
4 4GA6 AMP 1.74419
5 5DMZ ADP 1.74419
6 6IIU A8X 1.74419
7 6C6O ENG 1.88934
8 3F8D FAD 2.03488
9 1ADO 13P 2.03488
10 5VN0 FAD 2.03488
11 3ITJ FAD 2.07101
12 3KDU NKS 2.16606
13 4R98 GNH 2.21402
14 4UP3 FAD 2.2293
15 1DMH MCT 2.2508
16 2VVL FAD 2.32558
17 1FL2 FAD 2.32558
18 4Z5W TYS ILE TYS THR GLN 2.32558
19 2VVM FAD 2.32558
20 6DVH FMN 2.32558
21 4RVU NDP 2.40964
22 2J9D ADP 2.52101
23 1QPB TPP 2.61628
24 2VK4 TPP 2.61628
25 1QPB PYM 2.61628
26 1ZK7 FAD 2.61628
27 2GOU FMN 2.61628
28 3B9O FMN 2.61628
29 2C0U FAD NBT 2.61628
30 2J1P GRG 2.73038
31 2Q0L FAD 2.89389
32 4A2B AGS 2.90698
33 4A2A ATP 2.90698
34 2FXU ATP 2.90698
35 6FCX FAD 2.90698
36 4B1X ATP 2.90698
37 3MN9 ATP 2.90698
38 5TTJ FAD 2.90698
39 3MN6 ATP 2.90698
40 4B1V LAB 2.90698
41 4B1V ATP 2.90698
42 3IAE D7K 2.98246
43 3ICT FAD 3.19767
44 6GNF GLC 3.19767
45 6GNF QPS 3.19767
46 5UCD NAP 3.19767
47 6EMU SAM 3.19767
48 1PFY MSP 3.19767
49 1DJN FMN 3.19767
50 4BUZ NAD 3.25203
51 1XHL NDP 3.367
52 3HOK Q80 3.43348
53 4YKG FAD 3.48837
54 4YKG NAD 3.48837
55 4GID 0GH 3.48837
56 1F9A ATP 3.57143
57 5BSH PRO 3.61011
58 4IAE 1DX 3.7037
59 5X0J AMP 3.71901
60 5X0J SEP 3.71901
61 3LN0 52B 3.77907
62 5TG5 JW8 3.77907
63 1V59 FAD 3.77907
64 5NA1 FAD 3.77907
65 3VYW SAM 3.77907
66 4CBU ATP 3.93701
67 6BT4 KPM 3.9604
68 3LM9 FRU 3.97351
69 4EMV 0R9 3.9823
70 5OVL NAP 4
71 5JFL NAD 4.06977
72 4I3V NAD 4.06977
73 1BXG HCI 4.06977
74 5C9P FUC 4.06977
75 4M52 FAD 4.06977
76 1C1D PHE 4.06977
77 1G7S GDP 4.06977
78 4PKI ATP 4.06977
79 5N5U 7N8 4.14013
80 4DR9 BB2 4.16667
81 1L3I SAH 4.16667
82 2DPM SAM 4.22535
83 3U4L ATP 4.28571
84 2YVF NAD 4.36047
85 2YVF FAD 4.36047
86 1KXP ATP 4.36047
87 5FPE 3TR 4.36047
88 3P9Y N7P THR SEP PRO SER TYR SET 4.54545
89 3E3U NVC 4.56853
90 1H82 FAD 4.65116
91 5DWQ SFG 4.65116
92 5DXA SFG 4.65116
93 5DX0 SFG 4.65116
94 5DX8 SFG 4.65116
95 1G27 BB1 4.7619
96 3OJI PYV 4.7619
97 3R5Z F42 4.82759
98 4HSU FAD 4.83871
99 2VBF TPP 4.94186
100 6DEF GCP 4.94186
101 1HXD BTN 4.98442
102 2AZC 3TL 5.05051
103 3MN7 ATP 5.10204
104 1D6H COA 5.16796
105 3D9F FAD 5.23256
106 2R14 FMN 5.23256
107 2R14 TXD 5.23256
108 3G2O SAM 5.23256
109 5DH3 5BS 5.39683
110 4FG8 ATP 5.39683
111 2PD4 NAD 5.45455
112 2PD4 DCN 5.45455
113 4PL8 ATP 5.47945
114 1VDC FAD 5.70571
115 4A3U FMN 5.81395
116 6CI9 NAP 6.10465
117 4JNA FAD 6.10465
118 2Q7V FAD 6.15385
119 1PZX PLM 6.22837
120 4R57 ACO 6.25
121 2PAV ATP 6.25
122 1SKQ GDP 6.39535
123 4I94 ANP 6.39535
124 2YVJ FAD 6.42202
125 4EMJ FAD 6.54206
126 1NMK SFM 6.66667
127 1H65 GDP 6.68605
128 2PI8 NAG NAG NAG NAG NAG NAG 6.97674
129 1XKQ NDP 6.97674
130 1VC9 ATP 7.14286
131 3I51 45C 7.26744
132 4PKG ATP 7.52688
133 2NPX FAD 7.55814
134 2A3Z ATP 7.69231
135 5JCA NDP 7.74648
136 5JCA FAD 7.74648
137 5N0J FAD 7.84884
138 5HTX ADP 7.84884
139 3CGD NAD 8.13953
140 3IL6 B83 8.41121
141 2GN4 UD1 8.72093
142 2YY8 MTA 8.95522
143 5WQP NAP 8.97436
144 5J5Z FAD 9.01163
145 1Q7B NAP 9.01639
146 2EC9 24X 9.16667
147 1P7T ACO 9.59302
148 3O2Q PRO THR SEP PRO SER TYR 10.1744
149 3NT6 FAD 10.7558
150 4WN5 MVC 11.3043
151 6C7Y ADP 11.9658
152 3NUG NAD 12.1457
153 3RNM FAD 13.7931
154 2PBD ATP 13.9535
155 2F5Z FAD 14.0625
156 5ZZA ATP 14.876
157 2ISJ FMN 22.6087
158 2VCN ISZ 29.1188
159 2D1K ATP 31.25
APoc FAQ
Feedback