PDB entry 2c3j
View 2c3j on RCSB PDB site
Description: identification of a buried pocket for potent and selective inhibition of chk1: prediction and verification
Class: transferase
Keywords: drug design, molecular modeling, molecular recognition, oncology, transferase, cell cycle, DNA damage, DNA repair, ATP-binding, kinase, nuclear protein, nucleotide-binding, phosphorylation, polymorphism, serine/threonine-protein kinase, ubl conjugation
Deposited on
2005-10-10, released
2005-11-23
The last revision prior to the SCOPe 2.02 freeze date was dated
2009-02-24, with a file datestamp of
2009-03-01.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.186
AEROSPACI score: 0.41
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Serine/threonine-protein kinase Chk1
Species: Homo sapiens [TaxId:9606]
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.02: d2c3ja1 - Heterogens: DBQ, SO3, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2c3jA (A:)
mavpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkravdcpenikkeicink
mlnhenvvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvy
lhgigithrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellk
rrefhaepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsapla
llhkilvenpsaritipdikkdrwynkplkkgakrprvtsggvsespsghhhhhhhh
Sequence, based on observed residues (ATOM records): (download)
>2c3jA (A:)
vedwdlvqtlgegevqlavnrvteeavavkivdmkrenikkeicinkmlnhenvvkfygh
rregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgigithrdikp
enlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrrefhaepvdvws
cgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhkilvenpsar
itipdikkdrwynkplk