Structure of PDB 4dz3 Chain A Binding Site BS03

Receptor Information
>4dz3 Chain A (length=113) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVVTTESGLKYEDLTEGSGAEARAGQTVSVHYTGWLTDGQKFDSSKDRN
DPFAFVLGGGHVIKGWDEGVQGMKVGGVRRLTIPPQLGYGARGAGGVIPP
NATLVFEVELLDV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4dz3 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dz3 A structural biology approach enables the development of antimicrobials targeting bacterial immunophilins.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D51 P52
Binding residue
(residue number reindexed from 1)		D51 P52
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y33 F43 D44 I63 Y89 F106
Catalytic site (residue number reindexed from 1) Y33 F43 D44 I63 Y89 F106
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006457 protein folding

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Molecular Function
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Biological Process
External links
PDB RCSB:4dz3, PDBe:4dz3, PDBj:4dz3
PDBsum4dz3
PubMed24366729
UniProtQ3JK38

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