Structure of PDB 4drk Chain A

Receptor sequence

>4drkA (length=128) Species: 9606 (Homo sapiens)

GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLS
NGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYA
YGSAGSLPKIPSNATLFFEIELLDFKGE

3D structure

• PDB: 4drk Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52.
• Chain: A
• Resolution: 1.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y57 F67 D68 I87 Y113 F130
• Catalytic site (residue number reindexed from 1): Y45 F55 D56 I75 Y101 F118
• Enzyme Commision number: 5.2.1.8: peptidylprolyl isomerase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	I63	A	Y57 F67 D68 F77 G84 Q85 V86 I87 W90 Y113	Y45 F55 D56 F65 G72 Q73 V74 I75 W78 Y101	MOAD: ic50=8.36uM PDBbind-CN: -logKd/Ki=5.08,IC50=8.36uM BindingDB: Ki=2700nM,IC50=8360nM

Gene Ontology

Molecular Function

• GO:0003755 peptidyl-prolyl cis-trans isomerase activity

External links

• PDB: RCSB:4drk, PDBe:4drk, PDBj:4drk
• PDBsum: 4drk
• PubMed: 22455444
• UniProt: Q13451|FKBP5_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP5 (Gene Name=FKBP5)