Structure of PDB 2esl Chain F Binding Site BS02

Receptor Information
>2esl Chain F (length=181) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGPSVTAKVFFDVRIGDKDVGRIVIGLFGKVVPKTVENFVALATGEKGYG
YKGSKFHRVIKDFMIQGGDITTGDGTGGVSIYGETFPDENFKLKHYGIGW
VSMANAGPDTNGSQFFITLTKPTWLDGKHVVFGKVIDGMTVVHSIELQAT
DGHDRPLTNCSIINSGKIDVKTPFVVEIADW
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 chain2esl Chain F Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2esl Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E68 E77
Binding residue
(residue number reindexed from 1)		E37 E46
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R89 F94 Q97 N136 F147 L156 H160
Catalytic site (residue number reindexed from 1) R58 F63 Q66 N105 F116 L125 H129
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
Biological Process
GO:0000413 protein peptidyl-prolyl isomerization
GO:0006457 protein folding

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Molecular Function
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Biological Process
External links
PDB RCSB:2esl, PDBe:2esl, PDBj:2esl
PDBsum2esl
PubMed20676357
UniProtP45877|PPIC_HUMAN Peptidyl-prolyl cis-trans isomerase C (Gene Name=PPIC)

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