Structure of PDB 6hd4 Chain A

Receptor sequence
>6hd4A (length=287) Species: 10090 (Mus musculus) [Search protein sequence]
GAMDPSSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKT
LKEDMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNL
LDYLRECNRQEVSAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGE
NHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVW
AFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMR
ACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKEL
3D structure
PDB6hd4 Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
ChainA
Resolution2.03 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) 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 FYW A A356 L359 L360 A452 T453 Y454 E481 P484 V487 I521 V525 A114 L117 L118 A210 T211 Y212 E239 P242 V245 I279 V283 PDBbind-CN: -logKd/Ki=8.64,IC50=0.0023uM
BS02 STI A Y272 V275 A288 K290 E305 M309 I312 V318 I332 T334 F336 M337 I379 H380 L389 A399 D400 F401 Y31 V34 A47 K49 E63 M67 I70 V76 I90 T92 F94 M95 I137 H138 L147 A157 D158 F159 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:6hd4, PDBe:6hd4, PDBj:6hd4
PDBsum6hd4
PubMed30137981
UniProtP00520|ABL1_MOUSE Tyrosine-protein kinase ABL1 (Gene Name=Abl1)

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