Structure of PDB 1jym Chain H Binding Site BS01

Receptor Information
>1jym Chain H (length=173) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIKIVKYPDPILRRRSEVTNFDDNLKRVVRKMFDIMYESKGIGLSAPQVN
ISKRIIVWNALYEKRKEENERIFINPSIVEQSLVKLKLIEGCLSFGIEGK
VERPSIVSISYYDINGYKHLKILKGIHSRIFQHEFDHLNGTLFIDKMTQV
DKKKVRPKLNELIRDYKATHSEE
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1jym Chain H Residue 7300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1jym Crystals of peptide deformylase from Plasmodium falciparum reveal critical characteristics of the active site for drug design.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Q111 C155 H196 H200
Binding residue
(residue number reindexed from 1)		Q48 C92 H133 H137
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G106 Q111 C155 L156 H196 E197 H200
Catalytic site (residue number reindexed from 1) G43 Q48 C92 L93 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:1jym, PDBe:1jym, PDBj:1jym
PDBsum1jym
PubMed12005434
UniProtQ8I372

[Back to BioLiP]