PDB entry 2br1
View 2br1 on RCSB PDB site
Description: structure-based design of novel chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity
Class: transferase
Keywords: transferase, drug design, furanopyrimidine, molecular recognition, oncology, pyrrolopyrimidine, x-ray crystallography, kinase
Deposited on
2005-04-29, released
2005-05-12
The last revision prior to the SCOPe 2.05 freeze date was dated
2009-02-24, with a file datestamp of
2009-03-01.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.163
AEROSPACI score: 0.46
(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 2.05: d2br1a_ - Heterogens: PFP, SO4, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2br1A (A:)
mavpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkravdcpenikkeicink
mlnhenvvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvy
lhgigithrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellk
rrefhaepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsapla
llhkilvenpsaritipdikkdrwynkplkkgakrprvtsggvsespsghhhhhhhh
Sequence, based on observed residues (ATOM records): (download)
>2br1A (A:)
avpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkrcpenikkeicinkmlnh
envvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgi
githrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrref
haepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhk
ilvenpsaritipdikkdrwynkplkkgakrp