Structure of PDB 7b9z Chain A Binding Site BS03

Receptor Information
>7b9z Chain A (length=128) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAPATVTEQGEDITSKKDRGVLKIVKRVGNGEETPMIGDKVYVHYKGKLS
NGKKFDSSHDRNEPFVFSLGKGQVIKAWDIGVATMKKGEIAHLLIKPEYA
YGSAGSLPKIPSNATLFFEIELLDFKGE
Ligand information
Ligand IDIS8
InChIInChI=1S/CHNS/c2-1-3/h2H
InChIKeyGRHBQAYDJPGGLF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(=N)=S
CACTVS 3.385N=C=S
FormulaC H N S
Nameisothiocyanate
ChEMBLCHEMBL1161685
DrugBank
ZINC
PDB chain7b9z Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7b9z Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		G114 S115
Binding residue
(residue number reindexed from 1)		G102 S103
Annotation score1
Enzymatic activity
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:7b9z, PDBe:7b9z, PDBj:7b9z
PDBsum7b9z
PubMed33666419
UniProtQ13451|FKBP5_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP5 (Gene Name=FKBP5)

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