Structure of PDB 5cvp Chain A Binding Site BS01

Receptor Information
>5cvp Chain A (length=166) 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
QIAVDLQLMVFGFEAEAPAVPLTALANAQIEPLSDEMENGWEGCLSIPGL
RAVIPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRLYPSRI
ENFDTFGFDDVLSYDL
Ligand information
Ligand ID56F
InChIInChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
InChIKeyYPYACBWYLBGTPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CNS(=O)(=O)Cc1ccc(cc1)Cl
ACDLabs 12.01N(C)S(Cc1ccc(cc1)Cl)(=O)=O
CACTVS 3.385CN[S](=O)(=O)Cc1ccc(Cl)cc1
FormulaC8 H10 Cl N O2 S
Name1-(4-chlorophenyl)-N-methylmethanesulfonamide
ChEMBL
DrugBank
ZINCZINC000001057108
PDB chain5cvp Chain A Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cvp Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryze, in complex with fragment 571
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W96 E97 G98 F134 H141
Binding residue
(residue number reindexed from 1)		W91 E92 G93 F129 H136
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 C94 L95 H136 E137 H140
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:5cvp, PDBe:5cvp, PDBj:5cvp
PDBsum5cvp
PubMed
UniProtQ5H3Z2

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