Structure of PDB 6npv Chain B

Receptor sequence
>6npvB (length=257) Species: 9606 (Homo sapiens) [Search protein sequence]
DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLVEEFLKEAA
VMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAV
VLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGAKFPI
KWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLE
KDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSIS
DEVEKEL
3D structure
PDB6npv Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
ChainB
Resolution1.86 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) D125 A127 R129 N130 D143 P149
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 STI B L267 Y272 A288 K290 E305 M309 I332 T334 F336 M337 I379 H380 A399 D400 F401 L16 Y21 A37 K39 E48 M52 I75 T77 F79 M80 I122 H123 A142 D143 F144 BindingDB: IC50=38nM,Kd=44nM,Ki=13nM,EC50=7e+1nM
BS02 KWP B A356 L360 I451 A452 Y454 E481 G482 P484 A99 L103 I179 A180 Y182 E209 G210 P212 MOAD: ic50=0.00000001M
BindingDB: IC50=158nM,EC50=3162nM
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:6npv, PDBe:6npv, PDBj:6npv
PDBsum6npv
PubMed30689376
UniProtP00519|ABL1_HUMAN Tyrosine-protein kinase ABL1 (Gene Name=ABL1)

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