Structure of PDB 5cx0 Chain A Binding Site BS01

Receptor Information
>5cx0 Chain A (length=162) 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
QIAVDLQLMVFGFEPAVPLTALANAQIEPLSDEMENGWEGCLSIPGLRAV
IPRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRLYPSRIENF
DTFGFDDVLSYD
Ligand information
Ligand ID56L
InChIInChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)
InChIKeyQWVRNSPNBZGMRZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CC(C1C(NC(NC1=O)=S)=O)C
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CC(C)C1C(=O)NC(=S)NC1=O
FormulaC7 H10 N2 O2 S
Name5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
ChEMBL
DrugBank
ZINCZINC000001471012
PDB chain5cx0 Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5cx0 Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv. oryzae, in complex with fragment 322
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V45 E97 G98 C99 L100 H141 E142
Binding residue
(residue number reindexed from 1)		V45 E89 G90 C91 L92 H133 E134
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 C91 L92 H133 E134 H137
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:5cx0, PDBe:5cx0, PDBj:5cx0
PDBsum5cx0
PubMed
UniProtQ5H3Z2

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