Structure of PDB 5cxj Chain A Binding Site BS01

Receptor Information
>5cxj Chain A (length=161) 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
QIAVDLQLMVFGFPAVPLTALANAQIEPLSDEMENGWEGCLSIPGLRAVI
PRYRYIRYRGFAPDGSPIEREAEGFHARVVQHEYDHLVGRLYPSRIENFD
TFGFDDVLSYD
Ligand information
Ligand ID56T
InChIInChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChIKeyZQSLNSHMUQXSQJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(oc1)CCN
CACTVS 3.385NCCc1occc1
ACDLabs 12.01c1c(CCN)occ1
FormulaC6 H9 N O
Name2-(furan-2-yl)ethanamine
ChEMBLCHEMBL4552984
DrugBank
ZINCZINC000000873698
PDB chain5cxj Chain A Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cxj Structure of Xoo1075, a peptide deformylase from Xanthomonas oryzae pv oryzae, in complex with fragment 124
Resolution2.38 Å
Binding residue
(original residue number in PDB)		V45 E97 F134 H141 E142
Binding residue
(residue number reindexed from 1)		V45 E88 F125 H132 E133
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 C90 L91 H132 E133 H136
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:5cxj, PDBe:5cxj, PDBj:5cxj
PDBsum5cxj
PubMed
UniProtQ5H3Z2

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