Structure of PDB 3o3j Chain A Binding Site BS05

Receptor Information
>3o3j Chain A (length=180) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIVEYPDPILRAKNKRIDIFDENLKNLVDAMFDVMYKTDGIGLSAPQVG
LNVQLMVFNPAGEPGEGKEIVLVNPKIKKYSDKLVPFDEGCLSFPGIYAE
VVRPQSVKIDARDITGERFSISLSRLPARIFQHEYDHLEGVLFFDRMTDQ
VLDSIREELEALEKKYEEKTGLPSPERVEA
Ligand information
Ligand IDBB4
InChIInChI=1S/C10H9BrN2O2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(14)13-15/h1-2,4-5,12,15H,3H2,(H,13,14)
InChIKeyZDQORGWUODGWFT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370ONC(=O)Cc1c[nH]c2ccc(Br)cc12
OpenEye OEToolkits 1.7.0c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO
ACDLabs 12.01Brc1cc2c(cc1)ncc2CC(=O)NO
FormulaC10 H9 Br N2 O2
Name2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
ChEMBL
DrugBank
ZINC
PDB chain3o3j Chain A Residue 300 [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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PDB3o3j Trapping conformational states along ligand-binding dynamics of peptide deformylase: the impact of induced fit on enzyme catalysis
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Q48 E89 G90 C91 L92 R129 H133 E134 H137
Binding residue
(residue number reindexed from 1)		Q48 E89 G90 C91 L92 R129 H133 E134 H137
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.40,Ki=400nM
Enzymatic activity
Catalytic site (original residue number in PDB) G43 Q48 C91 L92 H133 E134 H137
Catalytic site (residue number reindexed from 1) G43 Q48 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:3o3j, PDBe:3o3j, PDBj:3o3j
PDBsum3o3j
PubMed21629676
UniProtQ9FUZ2|DEF1B_ARATH Peptide deformylase 1B, chloroplastic/mitochondrial (Gene Name=PDF1B)

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