Structure of PDB 4zog Chain A Binding Site BS03

Receptor Information
>4zog Chain A (length=269) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEE
FLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNR
QEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADF
GLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEI
ATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSD
RPSFAEIHQAFETMFQESS
Ligand information
Ligand IDMXE
InChIInChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKeyXNWFRZJHXBZDAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCO
ACDLabs 10.04OCCOC
FormulaC3 H8 O2
Name2-METHOXYETHANOL
ChEMBLCHEMBL444144
DrugBankDB02806
ZINCZINC000001591817
PDB chain4zog Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4zog VX-680/MK-0457 binds also to human ABL1 with inactive DFG conformations.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		F401 P402 I403 K404
Binding residue
(residue number reindexed from 1)		F169 P170 I171 K172
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D363 A365 R367 N368 D381 P402
Catalytic site (residue number reindexed from 1) D131 A133 R135 N136 D149 P170
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4zog, PDBe:4zog, PDBj:4zog
PDBsum4zog
PubMed
UniProtP00519|ABL1_HUMAN Tyrosine-protein kinase ABL1 (Gene Name=ABL1)

[Back to BioLiP]