PDB entry 3odk
View 3odk on RCSB PDB site
Description: Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution
Class: isomerase
Keywords: SBDD, PPIASE, ISOMERASE, ROTAMASE, SMALL MOLECULE, Proline directed kinase, cell cycle, Oncogenic transformation, Nucleus, Phosphoprotein
Deposited on
2010-08-11, released
2010-10-27
The last revision prior to the SCOPe 2.07 freeze date was dated
2010-11-03, with a file datestamp of
2010-10-29.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.251
AEROSPACI score: 0.29
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Species: Homo sapiens [TaxId:9606]
Gene: PIN1
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3odka1, d3odka2 - Heterogens: PE4, ODK, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3odkA (A:)
gshgmadeeklppgwekamsrssgrvyyfnhitnasqwerpsgnsssggkngqgeparvr
cshllvkhsqsrrpsswrqekitrtkeealelingyiqkiksgeedfeslasqfsdcssa
kargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiilrte
Sequence, based on observed residues (ATOM records): (download)
>3odkA (A:)
lppgwekamsrssgrvyyfnhitnasqwerpseparvrcshllvkhsqsrrpsswrqeki
trtkeealelingyiqkiksgeedfeslasqfsdcssakargdlgafsrgqmqkpfedas
falrtgemsgpvftdsgihiilrte