Structure of PDB 6oz7 Chain A Binding Site BS01

Receptor Information
>6oz7 Chain A (length=242) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQVAIITASDSGIGKECALLLAQQGFDIGITWHSDEEGAKDTAREVVSHG
VRAEIVQLDLGNLPEGALALEKLIQRLGRIDVLVNNAGAMTKAPFLDMAF
DEWRKIFTVDVDGAFLCSQIAARQMVKQGQGGRIINITSVHEHTPLPDAS
AYTAAKHALGGLTKAMALELVRHKILVNAVAPGAIATPPDAEPSIPLRRF
GATHEIASLVVWLCSEGANYTTGQSLIVDGGFMLANPQFNPE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6oz7 Chain A Residue 501 [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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PDB6oz7 Putative oxidoreductase from Escherichia coli str. K-12
Resolution1.36 Å
Binding residue
(original residue number in PDB)		D42 E46
Binding residue
(residue number reindexed from 1)		D41 E45
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) G13 S140 Y153
Catalytic site (residue number reindexed from 1) G12 S139 Y152
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:6oz7, PDBe:6oz7, PDBj:6oz7
PDBsum6oz7
PubMed
UniProtP33368|YOHF_ECOLI Uncharacterized oxidoreductase YohF (Gene Name=yohF)

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