Structure of PDB 5cpd Chain A Binding Site BS01

Receptor Information

>5cpd Chain A (length=168) Species: 291331 (Xanthomonas oryzae pv. oryzae KACC 10331)

MIRDIIRMGDKRLLRVAPQVTNLGSAELHALVSDMFETMGAAHGVGLAAP
QIAVDLQLMVFGFEASERYPEAPAVPLTALANAQIEPLSDEMENGWEGCL
SIPGLRAVIPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRL
YPSRIENFDTFGFDDVLS

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: 5cpd Chain A Residue 208

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5cpd Substrates complexed structure of XOO1075, a peptide defromylase from xanthomonas oryzae pv. oryzae
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): G44 V45 G46 G98 F134 H141 E142
• Binding residue (residue number reindexed from 1): G44 V45 G46 G98 F134 H141 E142
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G46 Q51 C99 L100 H141 E142 H145
• Catalytic site (residue number reindexed from 1): G46 Q51 C99 L100 H141 E142 H145
• Enzyme Commision number: 3.5.1.88: peptide deformylase.

Gene Ontology

Molecular Function

• GO:0042586 peptide deformylase activity

External links

• PDB: RCSB:5cpd, PDBe:5cpd, PDBj:5cpd
• PDBsum: 5cpd
• UniProt: Q5H3Z2