Structure of PDB 4odq Chain A Binding Site BS02

Receptor Information
>4odq Chain A (length=106) Species: 9606,300852 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVGQDKVVTIRYTLQVEGEVLDQGELSYLHGHRNLIPGLEEALEGREEG
EAFQAHVPAEKAYGATGHPPHATLDFQVEVVKVREATPEELLHGHAHPSG
HHHHHH
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 chain4odq Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4odq Molecular insights into substrate recognition and catalytic mechanism of the chaperone and FKBP peptidyl-prolyl isomerase SlyD.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H33 R34 N35
Binding residue
(residue number reindexed from 1)		H33 R34 N35
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 F76
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:4odq, PDBe:4odq, PDBj:4odq
PDBsum4odq
PubMed27664121
UniProtP62942|FKB1A_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP1A (Gene Name=FKBP1A);
Q5SLE7

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