Structure of PDB 4xli Chain B Binding Site BS01

Receptor Information

>4xli Chain B (length=264) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DKWEMERTDITMKHKLGGEVYVGVWKKYSLTVAVKTLKEDTMEVEEFLKE
AAVMKEIKHPNLVQLLGVCTLEPPFYIVTEYMPYGNLLDYLRECSREEVT
AVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHVVKVADFGLSR
LMTGDTYTAHAGAKFPIKWTAPESLAYNTFSIKSDVWAFGVLLWEIATYG
MSPYPGIDLSQVYDLLEKGYRMEQPEGCPPKVYELMRACWKWSPADRPSF
AETHQAFETMFHDS

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

4xli Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4xli Structure of the ABL2/ARG kinase in complex with dasatinib.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	E398 H536
Binding residue (residue number reindexed from 1)	E116 H254
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D409 A411 R413 N414 D427 P448
Catalytic site (residue number reindexed from 1)	D127 A129 R131 N132 D145 P166
Enzyme Commision number	2.7.10.2: non-specific protein-tyrosine kinase.

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:4xli, PDBe:4xli, PDBj:4xli
PDBsum	4xli
PubMed	25849507
UniProt	Q4JIM5\|ABL2_MOUSE Tyrosine-protein kinase ABL2 (Gene Name=Abl2)

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