Structure of PDB 2xrx Chain O Binding Site BS03

Receptor Information
>2xrx Chain O (length=432) Species: 266265 (Paraburkholderia xenovorans LB400) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NWTPEAIRGLVDQEKGLLDPRIYADQSLYELELERVFGRSWLLLGHESHV
PETGDFLATYMGEDPVVMVRQKDKSIKVFLNQCRHRGMRICRSDAGNAKA
FTCSYHGWAYDIAGKLVNVPFEKEAFDKAEWGPLQARVATYKGLVFANWD
VQAPDLETYLGDARPYMDVMLDRTPAGTVAIGGMQKWVIPCNWKFAAEQF
CSDMYHAGTTTHLSGILAGIPPEMDLSQAQIPTKGNQFRAAWGGHGSGWY
VDEPGSLLAVMGPKVTQYWTEGPAAELAEQRLGHTGMPVRRMVGQHMTIF
PTCSFLPTFNNIRIWHPRGPNEIEVWAFTLVDADAPAEIKEEYRRHNIRN
FSAGGVFEQDDGENWVEIQKGLRGYKAKSQPLNAQMGLGRSQTGHPDFPG
NVGYVYAEEAARGMYHHWMRMMSEPSWATLKP
Ligand information
Ligand IDBNL
InChIInChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
InChIKeyZUOUZKKEUPVFJK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02c1cc(ccc1)c2ccccc2
CACTVS 3.352
OpenEye OEToolkits 1.7.0		c1ccc(cc1)c2ccccc2
FormulaC12 H10
NameBIPHENYL
ChEMBLCHEMBL14092
DrugBank
ZINCZINC000000968250
PDB chain2xrx Chain O Residue 1462 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xrx Structural Insight Into the Expanded Pcb-Degrading Abilities of a Biphenyl Dioxygenase Obtained by Directed Evolution.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		Q226 D230 M231 H233 H323 L333 F336
Binding residue
(residue number reindexed from 1)		Q199 D203 M204 H206 H296 L306 F309
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H123 D230 H233 H239 D388
Catalytic site (residue number reindexed from 1) H106 D203 H206 H212 D361
Enzyme Commision number 1.14.12.18: biphenyl 2,3-dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0018687 biphenyl 2,3-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process
GO:0044237 cellular metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2xrx, PDBe:2xrx, PDBj:2xrx
PDBsum2xrx
PubMed21073881
UniProtP37333|BPHA_PARXL Biphenyl dioxygenase subunit alpha (Gene Name=bphA)

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