Structure of PDB 2qer Chain A Binding Site BS02

Receptor Information
>2qer Chain A (length=158) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGVRIITNYGDLKFELFCSQCPKACKNFLALSASGYYKNTIFHKNIKGFI
IQGGDPTGTGKGGESIYGRYFDDEIYPELKYDRRGILSMASASKKPNTNG
SQFFITYSSLPQLNGEYVIFGKLIDGFETLNTLENCPSDKSHKPIDEIII
KDIVIHSN
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain2qer Chain A Residue 188 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qer Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_1660 in the presence of dipeptide ala-pro.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		K60 Y135
Binding residue
(residue number reindexed from 1)		K44 Y117
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K60 F65 Q68 S107 F122 L131 Y135
Catalytic site (residue number reindexed from 1) K44 F49 Q52 S91 F104 L113 Y117
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
Cellular Component
GO:0071013 catalytic step 2 spliceosome

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Molecular Function
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Cellular Component
External links
PDB RCSB:2qer, PDBe:2qer, PDBj:2qer
PDBsum2qer
PubMed
UniProtA3FQ68

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