Structure of PDB 3mao Chain A Binding Site BS01

Receptor Information
>3mao Chain A (length=105) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEVFQNHFEPGVYVCAKCGYELFSSRSKYAHSSPWPAFTETIHADSVAK
RPEHNRSEALKVSCGKCGNGLGHEFLNDGPKPGQSRFSIFSSSLKFVPKG
KETSA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3mao Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3mao Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
Resolution1.42 Å
Binding residue
(original residue number in PDB)		C23 C26 C71 C74
Binding residue
(residue number reindexed from 1)		C16 C19 C64 C67
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S41 G77 H80 D85 R93 S95
Catalytic site (residue number reindexed from 1) S34 G70 H73 D78 R86 S88
Enzyme Commision number 1.8.4.12: peptide-methionine (R)-S-oxide reductase.
1.8.4.14: L-methionine (R)-S-oxide reductase.
Gene Ontology
Molecular Function
GO:0033743 peptide-methionine (R)-S-oxide reductase activity

View graph for
Molecular Function
External links
PDB RCSB:3mao, PDBe:3mao, PDBj:3mao
PDBsum3mao
PubMed
UniProtQ9NZV6|MSRB1_HUMAN Methionine-R-sulfoxide reductase B1 (Gene Name=MSRB1)

[Back to BioLiP]