Structure of PDB 6bhk Chain E Binding Site BS01

Receptor Information
>6bhk Chain E (length=319) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRINTVRGPITISEVGFTLTHEHICGSSAGFLRAWPEFFGSREALVEKAV
RGLRRARAAGVRTIVDVSTFDLGRDVRLLAEVSRAADVHIVAATGVWLDP
PLSIRMRSVEELTQFFLREIQYGIEDTGIRAGIIKVAITGKVTPFQELVL
RAAARASLATGVPVITHTAGSQRGGEQQAAIFESEGLSPSRVCIGHSDET
DDLSYLTALAARGYLIGLDRIPHSAIGLEDSRSWQTRALLIKALIDQGYM
KQILVSNDWLFGISSYVTNFMDVMDSVNPDGMAFIPLRVIPFLREKGIPQ
ETLAGITVTNPARFLSPTL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6bhk Chain E Residue 2401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bhk Phosphotriesterase variant R18deltaL7
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H55 H57 K169 D292
Binding residue
(residue number reindexed from 1)		H21 H23 K135 D258
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H55 H57 K169 H201 H230 E233 R254 D292
Catalytic site (residue number reindexed from 1) H21 H23 K135 H167 H196 E199 R220 D258
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6bhk, PDBe:6bhk, PDBj:6bhk
PDBsum6bhk
PubMed
UniProtA0A060GYS7

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