Structure of PDB 5cy7 Chain A Binding Site BS01

Receptor Information
>5cy7 Chain A (length=171) Species: 291331 (Xanthomonas oryzae pv. oryzae KACC 10331) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRDIIRMGDKRLLRVAPQVTNLGSAELHALVSDMFETMGAAHGVGLAAP
QIAVDLQLMVFGFEASERYPEAPAVPLTALANAQIEPLSDEMENGWEGCL
SIPGLRAVIPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRL
YPSRIENFDTFGFDDVLSYDL
Ligand information
Ligand ID56U
InChIInChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKeyPURNIHSRWGYONZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c2c1c(nc(C(F)F)n1)ccc2
OpenEye OEToolkits 1.9.2c1ccc2c(c1)[nH]c(n2)C(F)F
CACTVS 3.385FC(F)c1[nH]c2ccccc2n1
FormulaC8 H6 F2 N2
Name2-(difluoromethyl)-1H-benzimidazole
ChEMBLCHEMBL1502799
DrugBank
ZINCZINC000000286488
PDB chain5cy7 Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cy7 Structure of Xoo1075, a peptide deformylase from Xanthomonas oryze pv oryze, in complex with fragment 275
Resolution2.4 Å
Binding residue
(original residue number in PDB)		V45 R68 Y69 G98 C99 H141
Binding residue
(residue number reindexed from 1)		V45 R68 Y69 G98 C99 H141
Annotation score1
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

View graph for
Molecular Function
External links
PDB RCSB:5cy7, PDBe:5cy7, PDBj:5cy7
PDBsum5cy7
PubMed
UniProtQ5H3Z2

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