Structure of PDB 5cvk Chain A Binding Site BS01

Receptor Information
>5cvk Chain A (length=169) 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
QIAVDLQLMVFGFEARYPEAPAVPLTALANAQIEPLSDEMENGWEGCLSI
PGLRAVIPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRLYP
SRIENFDTFGFDDVLSYDL
Ligand information
Ligand ID56E
InChIInChI=1S/C10H13NO3S/c1-3-14-9(12)5-11-10(13)8-4-7(2)15-6-8/h4,6H,3,5H2,1-2H3,(H,11,13)
InChIKeyPMDIXZXNNWYFNT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C(c1csc(c1)C)(=O)NCC(=O)OCC
OpenEye OEToolkits 1.9.2CCOC(=O)CNC(=O)c1cc(sc1)C
CACTVS 3.385CCOC(=O)CNC(=O)c1csc(C)c1
FormulaC10 H13 N O3 S
Nameethyl N-[(5-methylthiophen-3-yl)carbonyl]glycinate
ChEMBL
DrugBank
ZINCZINC000004802037
PDB chain5cvk 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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PDB5cvk Structure of Xoo1075, a peptide deformyase from Xanthomonas oryzae pv.oryze, in complex with fragment 493
Resolution2.1 Å
Binding residue
(original residue number in PDB)		V45 Y69 G98 C99 H141 E142
Binding residue
(residue number reindexed from 1)		V45 Y67 G96 C97 H139 E140
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 C97 L98 H139 E140 H143
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:5cvk, PDBe:5cvk, PDBj:5cvk
PDBsum5cvk
PubMed
UniProtQ5H3Z2

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