PDB entry 3kag
View 3kag on RCSB PDB site
Description: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Class: isomerase
Keywords: SBDD, PPIASE, ISOMERASE, ROTAMASE, SMALL MOLECULE, Proline directed kinase, cell cycle, Oncogenic transformation, Nucleus, Phosphoprotein
Deposited on
2009-10-19, released
2009-12-22
The last revision prior to the SCOPe 2.08 freeze date was dated
2010-01-05, with a file datestamp of
2009-12-31.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.205
AEROSPACI score: 0.46
(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 2.08: d3kaga1, d3kaga2 - Heterogens: 4D7, 12P, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3kagA (A:)
gshgmadeeklppgwekamsrssgrvyyfnhitnasqwerpsgnsssggkngqgeparvr
cshllvkhsqsrrpsswrqekitrtkeealelingyiqkiksgeedfeslasqfsdcssa
kargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiilrte
Sequence, based on observed residues (ATOM records): (download)
>3kagA (A:)
lppgwekamsrssgrvyyfnhitnasqwerpseparvrcshllvkhsqsrrpsswrqeki
trtkeealelingyiqkiksgeedfeslasqfsdcssakargdlgafsrgqmqkpfedas
falrtgemsgpvftdsgihiilrte