Structure of PDB 2brb Chain A

Receptor sequence
>2brbA (length=272) Species: 9606 (Homo sapiens) [Search protein sequence]
AVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRCPENIKK
EICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPE
PDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATV
FRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAG
ELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARI
TIPDIKKDRWYNKPLKKGAKRP
3D structure
PDB2brb Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D130 K132 E134 N135 D148 T170
Catalytic site (residue number reindexed from 1) D126 K128 E130 N131 D144 T166
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 PFQ A L15 G16 V23 A36 E85 C87 L137 L14 G15 V22 A35 E81 C83 L133 MOAD: Ki=13.7uM
PDBbind-CN: -logKd/Ki=4.86,Ki=13.7uM
BindingDB: IC50=20900nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0000077 DNA damage checkpoint signaling
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:2brb, PDBe:2brb, PDBj:2brb
PDBsum2brb
PubMed15974586
UniProtO14757|CHK1_HUMAN Serine/threonine-protein kinase Chk1 (Gene Name=CHEK1)

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