Structure of PDB 4w9p Chain A

Receptor sequence

>4w9pA (length=121) Species: 9606 (Homo sapiens)

TEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLSNGKKFD
SSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEICHLLCKPEYAYGSAGS
LPKIPSNATLFFEIELLDFKG

3D structure

• PDB: 4w9p Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
• 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): Y39 F49 D50 I69 Y95 F112
• 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	3JR	A	Y57 F67 D68 F77 G84 Q85 V86 I87 W90 Y113 S118 F130	Y39 F49 D50 F59 G66 Q67 V68 I69 W72 Y95 S100 F112	PDBbind-CN: -logKd/Ki=7.80,Ki=16nM

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:4w9p, PDBe:4w9p, PDBj:4w9p
• PDBsum: 4w9p
• PubMed: 25412894
• UniProt: Q13451|FKBP5_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP5 (Gene Name=FKBP5)