PDB entry 2brg
View 2brg on RCSB PDB site
Description: structure-based design of novel chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity
Class: transferase
Keywords: drug design, furanopyrimidine, molecular recognition, oncology, pyrrolopyrimidine, ATP-binding, cell cycle, DNA damage, kinase, nuclear protein, phosphorylation, polymorphism, serine/threonine-protein kinase, transferase
Deposited on
2005-05-05, released
2005-05-12
The last revision prior to the SCOPe 2.08 freeze date was dated
2009-02-24, with a file datestamp of
2009-03-01.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.212
AEROSPACI score: 0.35
(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 2.08: d2brga_ - Heterogens: DFY, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>2brgA (A:)
mavpfvedwdlvqtlgegaygevqlavnrvteeavavkivdmkravdcpenikkeicink
mlnhenvvkfyghrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvy
lhgigithrdikpenlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellk
rrefhaepvdvwscgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsapla
llhkilvenpsaritipdikkdrwynkplkkgakrprvtsggvsespsghhhhhhhh
Sequence, based on observed residues (ATOM records): (download)
>2brgA (A:)
edwdlvqtlgegaygevqlavnrvteeavavkivdmkenikkeicinkmlnhenvvkfyg
hrregniqylfleycsggelfdriepdigmpepdaqrffhqlmagvvylhgigithrdik
penlllderdnlkisdfglatvfrynnrerllnkmcgtlpyvapellkrrefhaepvdvw
scgivltamlagelpwdqpsdscqeysdwkekktylnpwkkidsaplallhkilvenpsa
ritipdikkdrwynkpl