Structure of PDB 6hd6 Chain A

Receptor sequence
>6hd6A (length=285) Species: 10090 (Mus musculus) [Search protein sequence]
AMDPSSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTL
KEMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLD
YLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENH
LVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAF
GVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRAC
WQWNPSDRPSFAEIHQAFETMFQESSISDEVEKEL
3D structure
PDB6hd6 Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
ChainA
Resolution2.3 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D382 A384 R386 N387 D400 P421
Catalytic site (residue number reindexed from 1) D138 A140 R142 N143 D156 P177
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 FYH A L359 L360 L448 A452 E481 C483 P484 I521 L115 L116 L204 A208 E237 C239 P240 I277 PDBbind-CN: -logKd/Ki=5.70,Kd=2uM
BS02 STI A Y272 A288 K290 E305 M309 V318 I332 T334 F336 M337 I379 H380 L389 A399 D400 F401 Y30 A46 K48 E61 M65 V74 I88 T90 F92 M93 I135 H136 L145 A155 D156 F157 BindingDB: IC50=10.8nM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6hd6, PDBe:6hd6, PDBj:6hd6
PDBsum6hd6
PubMed30137981
UniProtP00520|ABL1_MOUSE Tyrosine-protein kinase ABL1 (Gene Name=Abl1)

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