Structure of PDB 3zv5 Chain A Binding Site BS02

Receptor Information
>3zv5 Chain A (length=275) Species: 93220 (Pandoraea pnomenusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLTGEVALITGGASGLGRALVDRFVAEGARVAVLDKSAERLRELEVAHG
GNAVGVVGDVRSLQDQKRAAERCLAAFGKIDTLIPNAGIWDYSTALADLP
EDKIDAAFDDIFHVNVKGYIHAVKACLPALVSSRGSVVFTISNAGFYPNG
GGPLYTATKHAVVGLVRQMAFELAPHVRVNGVAPGGMNTDLRGPSSLGLS
EQSISSVPLADMLKSVLPIGRMPALEEYTGAYVFFATRGDSLPATGALLN
YDGGMGVRGFLTAAGGADLPEKLNI
Ligand information
Ligand IDBPY
InChIInChI=1S/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
InChIKeyYKOQAAJBYBTSBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1cccc(c2ccccc2)c1O
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cccc(c2O)O
ACDLabs 10.04Oc2c(c1ccccc1)cccc2O
FormulaC12 H10 O2
NameBIPHENYL-2,3-DIOL
ChEMBL
DrugBankDB02923
ZINCZINC000000901387
PDB chain3zv5 Chain A Residue 1278 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zv5 Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W90 S142 N143 G150 Y155 I204
Binding residue
(residue number reindexed from 1)		W90 S142 N143 G150 Y155 I204
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) G16 S142 Y155 K159
Catalytic site (residue number reindexed from 1) G16 S142 Y155 K159
Enzyme Commision number 1.3.1.56: cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
GO:0018509 cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase activity
Biological Process
GO:0009056 catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3zv5, PDBe:3zv5, PDBj:3zv5
PDBsum3zv5
PubMed21880718
UniProtQ46381|BPHB_COMTE Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase (Gene Name=bphB)

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