Structure of PDB 4nt8 Chain A Binding Site BS01

Receptor Information

>4nt8 Chain A (length=168) Species: 291331 (Xanthomonas oryzae pv. oryzae KACC 10331)

MIRDIIRMGDKRLLRVAPQVTNLGSAELHALVSDMFETMGAAHGVGLAAP
QIAVDLQLMVFGFEASERYPEAPAVPLTALANAQIEPLSDEMENGWEGCL
SIPGLRAVIPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRL
YPSRIENFDTFGFDDVLS

Ligand information

• Ligand ID: FME
• InChI: InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
• InChIKey: PYUSHNKNPOHWEZ-YFKPBYRVSA-N
• SMILES:
  CACTVS 3.341: CSCC[C@H](NC=O)C(O)=O
  CACTVS 3.341: CSCC[CH](NC=O)C(O)=O
  ACDLabs 10.04: O=CNC(C(=O)O)CCSC
  OpenEye OEToolkits 1.5.0: CSCCC(C(=O)O)NC=O
  OpenEye OEToolkits 1.5.0: CSCC[C@@H](C(=O)O)NC=O
• Formula: C6 H11 N O3 S
• Name: N-FORMYLMETHIONINE
• DrugBank: DB04464
• ZINC: ZINC000001529464
• PDB chain: 4nt8 Chain A Residue 207

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4nt8 Substrate complex structure of Xoo1075, a peptide deformylase, from Xanthomonas oryzae pv. oryzae
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): G44 V45 G46 Q51 F134 H141 E142 H145
• Binding residue (residue number reindexed from 1): G44 V45 G46 Q51 F134 H141 E142 H145
• 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:4nt8, PDBe:4nt8, PDBj:4nt8
• PDBsum: 4nt8
• UniProt: Q5H3Z2