Structure of PDB 5cy8 Chain A Binding Site BS01

Receptor Information

>5cy8 Chain A (length=170) Species: 291331 (Xanthomonas oryzae pv. oryzae KACC 10331)

MIRDIIRMGDKRLLRVAPQVTNLGSAELHALVSDMFETMGAAHGVGLAAP
QIAVDLQLMVFGFEASERYPEAPAVPLTALANAQIEPLSDEMENGWEGCL
SIPGLRAVIPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRL
YPSRIENFDTFGFDDVLSYD

Ligand information

• Ligand ID: 56V
• InChI: InChI=1S/C9H8N2OS/c12-8-5-13-9-10-6-3-1-2-4-7(6)11(8)9/h1-4,8,12H,5H2/t8-/m1/s1
• InChIKey: NRTXRMKJTFAUEX-MRVPVSSYSA-N
• SMILES:
  CACTVS 3.385: O[C@@H]1CSc2nc3ccccc3n12
  OpenEye OEToolkits 1.9.2: c1ccc2c(c1)nc3n2C(CS3)O
  ACDLabs 12.01: c2c1nc3SCC(n3c1ccc2)O
  OpenEye OEToolkits 1.9.2: c1ccc2c(c1)nc3n2[C@@H](CS3)O
  CACTVS 3.385: O[CH]1CSc2nc3ccccc3n12
• Formula: C9 H8 N2 O S
• Name: (3R)-2,3-dihydro[1,3]thiazolo[3,2-a]benzimidazol-3-ol
• ZINC: ZINC000000283537
• PDB chain: 5cy8 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5cy8 Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryze, in complex with fragment 244
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): V45 Y69 E97 G98 L100 H141 E142
• Binding residue (residue number reindexed from 1): V45 Y69 E97 G98 L100 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:5cy8, PDBe:5cy8, PDBj:5cy8
• PDBsum: 5cy8
• UniProt: Q5H3Z2