Receptor
PDB id Resolution Class Description Source Keywords
2ATJ 2 Å EC: 1.11.1.7 RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID ARMORACIA RUSTICANA OXIDOREDUCTASE PEROXIDASE
Ref.: STRUCTURAL INTERACTIONS BETWEEN HORSERADISH PEROXIDASE C AND THE SUBSTRATE BENZHYDROXAMIC ACID DETERMINED BY X-RAY CRYSTALLOGRAPHY. BIOCHEMISTRY V. 37 8054 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHO A:353;
B:353;
Valid;
Valid;
none;
none;
submit data
137.136 C7 H7 N O2 c1ccc...
CA A:351;
A:352;
B:351;
B:352;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
HEM A:350;
B:350;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ATJ 2 Å EC: 1.11.1.7 RECOMBINANT HORSERADISH PEROXIDASE COMPLEX WITH BENZHYDROXAMIC ACID ARMORACIA RUSTICANA OXIDOREDUCTASE PEROXIDASE
Ref.: STRUCTURAL INTERACTIONS BETWEEN HORSERADISH PEROXIDASE C AND THE SUBSTRATE BENZHYDROXAMIC ACID DETERMINED BY X-RAY CRYSTALLOGRAPHY. BIOCHEMISTRY V. 37 8054 1998
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
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 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
2 2ATJ - BHO C7 H7 N O2 c1ccc(cc1)....
3 5AOG - IAC C10 H9 N O2 c1ccc2c(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 : 2ATJ; Ligand: BHO; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 2atj.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E7O 35F 0.02635 0.41703 1.62338
2 2QX0 APC 0.02076 0.40109 1.88679
3 3QOX SAH 0.01112 0.42984 2.27273
4 4J75 TYM 0.008284 0.44284 2.92208
5 3ANP DCC 0.02022 0.41348 2.94118
6 4MIG G3F 0.03586 0.42423 3.57143
7 1VG8 GNP 0.01755 0.41389 3.86473
8 1UZN NAP 0.01367 0.40688 4.04858
9 3RAB GNP 0.0357 0.40233 4.14201
10 2C0U FAD NBT 0.01684 0.41893 4.22078
11 4A3U FMN 0.01751 0.41132 4.22078
12 5UWT GNP 0.01275 0.42578 4.64135
13 5G3N X28 0.01442 0.41369 4.72441
14 3M1I GTP 0.01029 0.43183 5.02283
15 3WYF GTP 0.01212 0.42816 5.02283
16 3GJX GTP 0.01895 0.41258 5.09259
17 1NJF ADP 0.00188 0.46115 5.2
18 1NJF AGS 0.004141 0.44211 5.2
19 2FFQ GSP 0.02453 0.41108 5.26316
20 1QM5 GLC GLC GLC PO4 SGC GLC 0.02068 0.41931 5.51948
21 4G17 0VN 0.0125 0.40143 5.84416
22 2V52 ATP 0.01411 0.41599 7.79221
23 3SJH ATP 0.01647 0.41202 7.79221
24 3SJH LAR 0.02427 0.41202 7.79221
25 2FF3 ATP 0.01869 0.40467 7.79221
26 3HVJ 705 0.02143 0.4266 8.59729
27 1ICP FMN 0.03978 0.40058 10.0649
28 1FM9 9CR 0.02594 0.40123 10.5042
29 4KVG GTP 0.02724 0.40158 13.0952
30 2UZI GTP 0.01236 0.4252 19.2771
31 4G05 JZ3 0.00005294 0.48674 19.4805
32 2VCN ISZ 0.00003459 0.4265 42.9119
33 3BQD DAY 0.01962 0.40764 46.1538
Pocket No.: 2; Query (leader) PDB : 2ATJ; Ligand: BHO; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 2atj.bio2) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1KPH SAH 0.01353 0.41533 2.09059
2 4P6X HCY 0.03327 0.40315 7.84314
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