Structure of PDB 4odr Chain A Binding Site BS03

Receptor Information
>4odr Chain A (length=104) Species: 9606,300852 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVGQDKVVTIRYTLQVEGEVLDQGELSYLHGHRNLIPGLEEALEGREEG
EAFQAHVPAEKAYGATGHPGIIPPHATLDFQVEVVKVREATPEELLHGHA
HPSG
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 chain4odr Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4odr Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
Resolution1.929 Å
Binding residue
(original residue number in PDB)		D6 H33
Binding residue
(residue number reindexed from 1)		D6 H33
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y13 L22 D23 I37 Y63 F80
Catalytic site (residue number reindexed from 1) Y13 L22 D23 I37 Y63 F80
Enzyme Commision number 5.2.1.8: peptidylprolyl isomerase.
Gene Ontology
Molecular Function
GO:0003755 peptidyl-prolyl cis-trans isomerase activity

View graph for
Molecular Function
External links
PDB RCSB:4odr, PDBe:4odr, PDBj:4odr
PDBsum4odr
PubMed27664121
UniProtP62942|FKB1A_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP1A (Gene Name=FKBP1A);
Q5SLE7

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