Structure of PDB 1k7d Chain A Binding Site BS01

Receptor Information

>1k7d Chain A (length=206) Species: 562 (Escherichia coli)

SSSEIKIVRDEYGMPHIYANDTWHLFYGYGYVVAQDRLFQMEMARRSTQG
TVAEVLGKDFVKFDKDIRRNYWPDAIRAQIAALSPEDMSILQGYADGMNA
WIDKVNTNPETLLPKQFNTFGFTPKRWEPFDVAMIFVGTMANRFSDSTSE
IDNLALLTALKDKYGVSQGMAVFNQLKWLVNPSAPTTIAVQESNYPLKFN
QQNSQT

Ligand information

• Ligand ID: GRO
• InChI: InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
• InChIKey: YPGCWEMNNLXISK-SSDOTTSWSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(c1ccccc1)C(=O)O
  OpenEye OEToolkits 1.5.0: C[C@H](c1ccccc1)C(=O)O
  CACTVS 3.341: C[C@@H](C(O)=O)c1ccccc1
  ACDLabs 10.04: O=C(O)C(c1ccccc1)C
  CACTVS 3.341: C[CH](C(O)=O)c1ccccc1
• Formula: C9 H10 O2
• Name: R-2-PHENYL-PROPRIONIC ACID
• ZINC: ZINC000000391878
• PDB chain: 1k7d Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1k7d Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): M142 F146
• Binding residue (residue number reindexed from 1): M140 F144
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.11: penicillin amidase.

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:1k7d, PDBe:1k7d, PDBj:1k7d
• PDBsum: 1k7d
• PubMed: 15254299
• UniProt: P06875|PAC_ECOLX Penicillin G acylase (Gene Name=pac)