Structure of PDB 2qs8 Chain B Binding Site BS02

Receptor Information
>2qs8 Chain B (length=405) Species: 28108 (Alteromonas macleodii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSKTLIHAGKLIDGKSDQVQSRISIVIDGNIISDIKKGFISSNDFEDYID
LRDHTVLPGLMDMHVHFGQEYQSKAQAPIKVEREMQAILATQHAYVTFKS
GFTTVRQVGDSGLVAISLRDAINSGKLAGPRIFAAGKTIATTGGHADPTN
GKAVDDYDYPVPEQGVVNGPYEVYAAVRQRYKDGADGIKITVTGGVLSVA
KSGQNPQFTQEEVDAVVSAAKDYGMWVAVHAHGAEGMKRAIKAGVDSIEH
GTFMDLEAMDLMIENGTYYVPTISAGEFVAEKSKIDNFFPEIVRPKAASV
GPQISDTFRKAYEKGVKIAFGTDAGVQKHGTNWKEFVYMVENGMPAMKAI
QSATMETAKLLRIEDKLGSIESGKLADLIAVKGNPIEDISVLENVDVVIK
DGLLY
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 chain2qs8 Chain B Residue 700 [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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PDB2qs8 Functional annotation of two new carboxypeptidases from the amidohydrolase superfamily of enzymes.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		H150 V201 L202 H235 H237 T277 A280 G281 I309 D328
Binding residue
(residue number reindexed from 1)		H145 V196 L197 H230 H232 T272 A275 G276 I304 D323
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2qs8, PDBe:2qs8, PDBj:2qs8
PDBsum2qs8
PubMed19358546
UniProtK7N5L1

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