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BioLiP

Structure of PDB 3cez Chain A Binding Site BS01

Receptor Information
>3cez Chain A (length=130) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPYPKDDAELRRRLTPMQYEVTQHAATEPPFTGEYTDTEDAGIYHCVVCG
TALFESGAKYHSGCGWPSYFKPIDGEVIDEKMDYTHGMTRVEVRCNQCGA
HLGHVFEDGPRDKTGLRYCINSAALNFEAK
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 chain3cez Chain A Residue 201 [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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PDB3cez Methionine-R-sulfoxide reductase from Burkholderia pseudomallei.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C55 C58 C104 C107
Binding residue
(residue number reindexed from 1)		C46 C49 C95 C98
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C73 H110 H113 D117 R126 C128
Catalytic site (residue number reindexed from 1) C64 H101 H104 D108 R117 C119
Enzyme Commision number 1.8.4.12: peptide-methionine (R)-S-oxide reductase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016671 oxidoreductase activity, acting on a sulfur group of donors, disulfide as acceptor
GO:0033743 peptide-methionine (R)-S-oxide reductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006979 response to oxidative stress
GO:0030091 protein repair
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3cez, PDBe:3cez, PDBj:3cez
PDBsum3cez
PubMed
UniProtQ3JRF0|MSRB_BURP1 Peptide methionine sulfoxide reductase MsrB (Gene Name=msrB)

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