Structure of PDB 6gwr Chain A

Receptor sequence
>6gwrA (length=300) Species: 9606 (Homo sapiens) [Search protein sequence]
MPRVDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLGHPLLVA
VKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDY
MENGDLNQFLSAHQLEDKAAEQGPTISYPMLLHVAAQIASGMRYLATLNF
VHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAW
ECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFR
DQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNT
3D structure
PDB6gwr Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2- a]pyrazin-3-ylethynyl)-4-isopropyl- N-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2.
ChainA
Resolution2.07 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D766 R770 N771 D784
Catalytic site (residue number reindexed from 1) D154 R158 N159 D172
Enzyme Commision number 2.7.10.1: receptor 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 FEW A V624 K655 E672 I675 M676 L679 I685 M699 T701 Y703 M704 F762 H764 L773 A783 D784 V25 K52 E69 I72 M73 L76 I82 M96 T98 Y100 M101 F150 H152 L161 A171 D172 MOAD: Kd=7.9nM
PDBbind-CN: -logKd/Ki=8.10,Kd=7.9nM
BindingDB: Kd=7.9nM,IC50=9.4nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004714 transmembrane receptor protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:6gwr, PDBe:6gwr, PDBj:6gwr
PDBsum6gwr
PubMed30075624
UniProtQ08345|DDR1_HUMAN Epithelial discoidin domain-containing receptor 1 (Gene Name=DDR1)

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