Structure of PDB 1qq9 Chain A Binding Site BS04

Receptor Information

>1qq9 Chain A (length=277) Species: 1911 (Streptomyces griseus)

APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETEGD
GRSDHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSC
DSLSNINDTALDRNSDAAAHAIWTLSS

Ligand information

• Ligand ID: MET
• InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
• InChIKey: FFEARJCKVFRZRR-BYPYZUCNSA-N
• SMILES:
  CACTVS 3.341: CSCC[CH](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCCC(C(=O)O)N
  CACTVS 3.341: CSCC[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CSCC[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CCSC
• Formula: C5 H11 N O2 S
• Name: METHIONINE
• ChEMBL: CHEMBL42336
• DrugBank: DB00134
• ZINC: ZINC000001532529
• PDB chain: 1qq9 Chain A Residue 903

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qq9 Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
• Resolution: 1.53 Å
• Binding residue (original residue number in PDB): H85 D97 E131 E132 D160 R202 F219 Y246 H247
• Binding residue (residue number reindexed from 1): H85 D97 E131 E132 D160 R202 F219 Y246 H247
• Annotation score: 4
• Binding affinity: MOAD: Ki=8.7mM
  PDBbind-CN: -logKd/Ki=2.06,Ki=8.7mM

Enzymatic activity

• Catalytic site (original residue number in PDB): N77 D97 E131 E132 D160
• Catalytic site (residue number reindexed from 1): N77 D97 E131 E132 D160
• Enzyme Commision number: 3.4.11.24: aminopeptidase S.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0008235 metalloexopeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1qq9, PDBe:1qq9, PDBj:1qq9
• PDBsum: 1qq9
• PubMed: 10771423
• UniProt: P80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)