Structure of PDB 5brt Chain A Binding Site BS02

Receptor Information
>5brt Chain A (length=554) Species: 1437882 (Pseudomonas nitroreducens HBP1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AETDVLIVGAGPAGAMSATLLASLGIRSLMINRWRSTSPGPRSHIINQRT
MEILRDIGLEESAKSLAVPKEYMGEHVYATSLAGEEFGRIPAWASHPQAH
AEHELASPSRYCDLPQLYFEPMVVSEAALRGADVRFLTEYLGHVEDQDGV
TARLLDHVSGAEYEVRAKYIIGADGAHSLVAQNAGLPFEGGSINIEFSAD
LSSLCEHKGDMYWMFGVAALRMIRPWNKWICVWGTKEEAKKIIHEIIGTD
EIPVEVGPISTWTINQQYAVRNTSGRVFCMGDAVHRHTPMGGLGLNTSVQ
DAYNLAWKLALVLKGTAAPTLLDSYDAERSPVAKQIVERAFKSLSTFPPV
FEALSLPPAPTESEMAEALVRLKDASEEGAKRRAALRKAMDATIIGLGGG
HGVELNQRYVSRAVFPDGTPDPGFVRDQEFFYQASTRPGAHLPHVWLTEN
QRRISTLDLCGKGRFTLLTGLSGAAWKHEAEQVSQSLGIELKVCVIGPGQ
EFVDTYGEYAKISEIGESGALLVRPDMFIAFRAKDASREGLEQLNVAVKS
ILGR
Ligand information
Ligand IDCH9
InChIInChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
InChIKeyLLEMOWNGBBNAJR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2ccccc2O
CACTVS 3.341Oc1ccccc1c2ccccc2
ACDLabs 10.04Oc2ccccc2c1ccccc1
FormulaC12 H10 O
Name2-HYDROXYBIPHENYL;
1,1'-BIPHENYL-2-OL;
2-PHENYLPHENOL
ChEMBLCHEMBL108829
DrugBank
ZINCZINC000000968134
PDB chain5brt Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5brt A crystal structure of 2-hydroxybiphenyl 3-monooxygenase with bound substrate provides insights into the enzymatic mechanism.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H48 W97 M223 V253 P320 M321
Binding residue
(residue number reindexed from 1)		H44 W93 M211 V232 P289 M290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H48 G237 I251 P320
Catalytic site (residue number reindexed from 1) H44 G216 I230 P289
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity
GO:0016709 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:5brt, PDBe:5brt, PDBj:5brt
PDBsum5brt
PubMed26275805
UniProtO06647

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