Structure of PDB 2og1 Chain A Binding Site BS01

Receptor Information
>2og1 Chain A (length=285) Species: 266265 (Paraburkholderia xenovorans LB400) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TALTESSTSKFVKINEKGFSDFNIHYNEAGNGETVIMLHGGGPGAGGWSN
YYRNVGPFVDAGYRVILKDSPGFNKSDAVVMDEQRGLVNARAVKGLMDAL
DIDRAHLVGNSMGGATALNFALEYPDRIGKLILMGPGGLGPSMFAPMPME
GIKLLFKLYAEPSYETLKQMLQVFLYDQSLITEELLQGRWEAIQRQPEHL
KNFLISAQKAPLSTWDVTARLGEIKAKTFITWGRDDRFVPLDHGLKLLWN
IDDARLHVFSKCGHWAQWEHADEFNRLVIDFLRHA
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain2og1 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2og1 Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway
Resolution1.6 Å
Binding residue
(original residue number in PDB)		Y53 E185
Binding residue
(residue number reindexed from 1)		Y52 E184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G42 G43 G45 N111 S112 M113 L156 R190 A208 D237 H265 W266
Catalytic site (residue number reindexed from 1) G41 G42 G44 N110 S111 M112 L155 R189 A207 D236 H264 W265
Enzyme Commision number 3.7.1.8: 2,6-dioxo-6-phenylhexa-3-enoate hydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0016823 hydrolase activity, acting on acid carbon-carbon bonds, in ketonic substances
GO:0018771 2-hydroxy-6-oxonona-2,4-dienedioate hydrolase activity
GO:0018774 2,6-dioxo-6-phenylhexa-3-enoate hydrolase activity
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2og1, PDBe:2og1, PDBj:2og1
PDBsum2og1
PubMed16964968
UniProtP47229|BPHD_PARXL 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase (Gene Name=bphD)

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