Structure of PDB 3qri Chain A

Receptor sequence
>3qriA (length=275) Species: 9606 (Homo sapiens) [Search protein sequence]
SMDPSSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTL
KEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNL
LDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGE
NHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVW
AFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMR
ACWQWNPSDRPSFAEIHQAFETMFQ
3D structure
PDB3qri Conformational Control Inhibition of the BCR-ABL1 Tyrosine Kinase, Including the Gatekeeper T315I Mutant, by the Switch-Control Inhibitor DCC-2036.
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) D363 A365 R367 N368 D381 P402
Catalytic site (residue number reindexed from 1) D140 A142 R144 N145 D158 P179
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 919 A L248 A269 K271 E286 M290 E316 F317 M318 G321 H361 L370 A380 D381 F382 L25 A46 K48 E63 M67 E93 F94 M95 G98 H138 L147 A157 D158 F159 MOAD: ic50=0.8nM
PDBbind-CN: -logKd/Ki=9.10,IC50=0.8nM
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
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Biological Process
External links
PDB RCSB:3qri, PDBe:3qri, PDBj:3qri
PDBsum3qri
PubMed21481795
UniProtP00519|ABL1_HUMAN Tyrosine-protein kinase ABL1 (Gene Name=ABL1)

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