Structure of PDB 3bym Chain A

Receptor sequence
>3bymA (length=272) Species: 9606 (Homo sapiens) [Search protein sequence]
QKPWWEDEWEVPRETLKLVERLGAGQFGEVWMGYYNGHTKVAVKSLKQGS
MSPDAFLAEANLMKQLQHQRLVRLYAVVTQEPIYIITEYMENGSLVDFLK
TPSGIKLTINKLLDMAAQIAEGMAFIEERNYIHRDLRAANILVSDTLSCK
IADFGLARLIEDNEYTAREGAKFPIKWTAPEAINYGTFTIKSDVWSFGIL
LTEIVTHGRIPYPGMTNPEVIQNLERGYRMVRPDNCPEELYQLMRLCWKE
RPEDRPTFDYLRSVLEDFFTAT
3D structure
PDB3bym Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D364 R366 A368 N369 D382 A400 F402
Catalytic site (residue number reindexed from 1) D135 R137 A139 N140 D153 A171 F173
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine 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 AM0 A V259 A271 E288 M292 Y318 M319 G322 L371 V30 A42 E59 M63 Y89 M90 G93 L142 MOAD: ic50=0.006uM
PDBbind-CN: -logKd/Ki=8.22,IC50=6nM
BindingDB: IC50=6nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3bym, PDBe:3bym, PDBj:3bym
PDBsum3bym
PubMed18278858
UniProtP06239|LCK_HUMAN Tyrosine-protein kinase Lck (Gene Name=LCK)

[Back to BioLiP]