Structure of PDB 3ici Chain B Binding Site BS01

Receptor Information
>3ici Chain B (length=186) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSDEKGPKVTVKVYFDLRIGDEDVGRVIFGLFGKTVPKTVDNFVALA
TGEKGFGYKNSKFHRVIKDFMIQGGDFTRGDGTGGKSIYGERFPDENFKL
KHYGPGWVSMANAGKDTNGSQFFITTVKTAWLDGKHVVFGKVLEGMEVVR
KVESTKTDSRDKPLKDVIIADCGKIEVEKPFAIAKE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3ici Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ici Structural Basis of Cyclophilin B Binding by the Calnexin/Calreticulin P-domain.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G-3 D2
Binding residue
(residue number reindexed from 1)		G1 D6
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R63 F68 Q71 N110 F121 L130 H134
Catalytic site (residue number reindexed from 1) R65 F70 Q73 N112 F123 L132 H136
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003755 peptidyl-prolyl cis-trans isomerase activity
GO:0005515 protein binding
GO:0005518 collagen binding
GO:0016018 cyclosporin A binding
GO:0051082 unfolded protein binding
GO:0070063 RNA polymerase binding
Biological Process
GO:0000413 protein peptidyl-prolyl isomerization
GO:0006457 protein folding
GO:0030593 neutrophil chemotaxis
GO:0040018 positive regulation of multicellular organism growth
GO:0044794 positive regulation by host of viral process
GO:0044829 positive regulation by host of viral genome replication
GO:0050821 protein stabilization
GO:0060348 bone development
GO:0061077 chaperone-mediated protein folding
GO:1901873 regulation of post-translational protein modification
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005788 endoplasmic reticulum lumen
GO:0005790 smooth endoplasmic reticulum
GO:0005829 cytosol
GO:0005925 focal adhesion
GO:0016020 membrane
GO:0032991 protein-containing complex
GO:0034663 endoplasmic reticulum chaperone complex
GO:0042470 melanosome
GO:0043231 intracellular membrane-bounded organelle
GO:0048471 perinuclear region of cytoplasm
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ici, PDBe:3ici, PDBj:3ici
PDBsum3ici
PubMed20801878
UniProtP23284|PPIB_HUMAN Peptidyl-prolyl cis-trans isomerase B (Gene Name=PPIB)

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