Structure of PDB 1wkm Chain B Binding Site BS03

Receptor Information
>1wkm Chain B (length=295) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDTEKLMKAGEIAKKVREKAIKLARPGMLLLELAESIEKMIMELGGKPAF
PVNLSINEIAAHYTPYKGDTTVLKEGDYLKIDVGVHIDGFIADTAVTVRV
GMEEDELMEAAKEALNAAISVARAGVEIKELGKAIENEIRKRGFKPIVNL
SGHKIERYKLHAGISIPNIYRPHDNYVLKEGDVFAIEPFATIGAGQVIEV
PPTLIYMYVRDVPVRVAQARFLLAKIKREYGTLPFAYRWLQNDMPEGQLK
LALKTLEKAGAIYGYPVLKEIRNGIVAQFEHTIIVEKDSVIVTTE
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain1wkm Chain B Residue 2298 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wkm EPR and X-ray crystallographic characterization of the product-bound form of the MnII-loaded methionyl aminopeptidase from Pyrococcus furiosus
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F50 N53 H62 D82 D93 H161 E187 I205
Binding residue
(residue number reindexed from 1)		F50 N53 H62 D82 D93 H161 E187 I205
Annotation score4
Binding affinityMOAD: Ki=150mM
Enzymatic activity
Catalytic site (original residue number in PDB) D82 D93 H153 H161 E187 E280
Catalytic site (residue number reindexed from 1) D82 D93 H153 H161 E187 E280
Enzyme Commision number 3.4.11.18: methionyl aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0004239 initiator methionyl aminopeptidase activity
GO:0008235 metalloexopeptidase activity
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0006508 proteolysis
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:1wkm, PDBe:1wkm, PDBj:1wkm
PDBsum1wkm
PubMed15628852
UniProtP56218|MAP2_PYRFU Methionine aminopeptidase (Gene Name=map)

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