Structure of PDB 7zdn Chain A Binding Site BS01

Receptor Information

>7zdn Chain A (length=164) Species: 9606 (Homo sapiens)

GNPLVYLDVDANGKPLGRVVLELKADVVPKTAENFRALCTGEKGFGYKGS
TFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDENFTLKHVGPGVLSMA
NAGPNTNGSQFFICTIKTDWLDGQHVVFGHVIEGMDVVKKIESFGSKSGR
TSKKIVITDCGQLS

Ligand information

• Ligand ID: IU0
• InChI: InChI=1S/C11H13NO2/c13-10-6-14-11-5-9(10)12-8-4-2-1-3-7(8)11/h1-4,9-13H,5-6H2/t9-,10-,11-/m1/s1
• InChIKey: JEDSYLJTJIINOF-GMTAPVOTSA-N
• SMILES:
  CACTVS 3.385: O[C@@H]1CO[C@@H]2C[C@H]1Nc3ccccc23
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)C3CC(N2)C(CO3)O
  OpenEye OEToolkits 2.0.7: c1ccc2c(c1)[C@H]3C[C@@H](N2)[C@@H](CO3)O
  CACTVS 3.385: O[CH]1CO[CH]2C[CH]1Nc3ccccc23
• Formula: C11 H13 N O2
• Name: (1~{R},9~{R},10~{S})-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol
• ZINC: ZINC000169658531
• PDB chain: 7zdn Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zdn Human Cyclophilin D in complex with fragment
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): G72 S81 N102 T107 Q111
• Binding residue (residue number reindexed from 1): G71 S80 N101 T106 Q110
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.2.1.8: peptidylprolyl isomerase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000413 protein peptidyl-prolyl isomerization
• GO:0006457 protein folding

External links

• PDB: RCSB:7zdn, PDBe:7zdn, PDBj:7zdn
• PDBsum: 7zdn
• UniProt: P30405|PPIF_HUMAN Peptidyl-prolyl cis-trans isomerase F, mitochondrial (Gene Name=PPIF)