Structure of PDB 6tr8 Chain A Binding Site BS01

Receptor Information
>6tr8 Chain A (length=136) Species: 1717 (Corynebacterium diphtheriae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTNFKLITDTEWRQRLSSEEYRVLREAGTEAPHTGEYTNTTTEGIYSCRA
CGTELFRSTEKFNSHCGWPSFFSPLAGDKVIERTDTSHGMVRTEVICANC
ESHLGHVFAGEGYDTPTDLRYCINSVCLTLIPAEES
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 chain6tr8 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tr8 Methionine sulfoxide reductase B fromCorynebacterium diphtheriaecatalyzes sulfoxide reduction via an intramolecular disulfide cascade.
ResolutionN/A
Binding residue
(original residue number in PDB)		C48 C97
Binding residue
(residue number reindexed from 1)		C48 C97
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.4.12: peptide-methionine (R)-S-oxide reductase.
Gene Ontology
Molecular Function
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
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:6tr8, PDBe:6tr8, PDBj:6tr8
PDBsum6tr8
PubMed31992594
UniProtQ6NGV7

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