Structure of PDB 2omb Chain D Binding Site BS02
Receptor Information
>2omb Chain D (length=217) Species:
9606
(Homo sapiens) [
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QSALPQPASVSGSPGQSITISCTGTSSDVGGYDLVSWYQHHPGGAPKLII
YEVTNRPSGVSDRFSGSKSGNTASLTISGLQAEDEADYYCSSYASGSTPR
IFGGGTRLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVT
VAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQV
THEGSTVEKTVAPTECS
Ligand information
Ligand ID
IPH
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey
ISWSIDIOOBJBQZ-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
Oc1ccccc1
OpenEye OEToolkits 1.5.0
c1ccc(cc1)O
Formula
C6 H6 O
Name
PHENOL
ChEMBL
CHEMBL14060
DrugBank
DB03255
ZINC
ZINC000005133329
PDB chain
2omb Chain D Residue 2002 [
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Receptor-Ligand Complex Structure
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PDB
2omb
Bence Jones KWR protein structures determined by X-ray crystallography.
Resolution
2.9 Å
Binding residue
(original residue number in PDB)
Y38 Y89
Binding residue
(residue number reindexed from 1)
Y38 Y89
Annotation score
1
External links
PDB
RCSB:2omb
,
PDBe:2omb
,
PDBj:2omb
PDBsum
2omb
PubMed
17582169
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