Structure of PDB 6mwe Chain A Binding Site BS01

Receptor Information
>6mwe Chain A (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPVLDWNDIKFQDVIGEGNFGQVLKARIKKDGLRMDAAIKRMGELEVLCK
LGHHPNIINLLGACEHRGYLYLAIEYAPHGNLLDFLRKSRVLETDPAFAI
ANSTASTLSSQQLLHFAADVARGMDYLSQKQFIHRDLAARNILVGENYVA
KIADFGLSRGQEVYKTMGRLPVRWMAIESLNYSVYTTNSDVWSYGVLLWE
IVSLGGTPYCGMTCAELYEKLPQGYRLEKPLNCDDEVYDLMRQCWREKPY
ERPSFAQILVSLNRMLEERKTYVNTTLYEKFTYAGIDCSAEE
Ligand information
Ligand ID919
InChIInChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
InChIKeyWVXNSAVVKYZVOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NC)c5nccc(Oc1ccc(c(F)c1)NC(=O)Nc4cc(nn4c3ccc2ncccc2c3)C(C)(C)C)c5
CACTVS 3.370CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1
OpenEye OEToolkits 1.7.0CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC
FormulaC30 H28 F N7 O3
Name4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;
DCC-2036
ChEMBLCHEMBL1738757
DrugBankDB13005
ZINCZINC000063933734
PDB chain6mwe Chain A Residue 1203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6mwe The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2
Resolution2.05 Å
Binding residue
(original residue number in PDB)		A853 K855 E872 E903 A905 L971 A981 D982 F983 G984 R987 Q989
Binding residue
(residue number reindexed from 1)		A38 K40 E44 E75 A77 L143 A153 D154 F155 G156 R159 Q161
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=9.20,Kd=0.63nM
Enzymatic activity
Catalytic site (original residue number in PDB) D964 A966 R968 N969 D982
Catalytic site (residue number reindexed from 1) D136 A138 R140 N141 D154
Enzyme Commision number 2.7.10.1: receptor 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:6mwe, PDBe:6mwe, PDBj:6mwe
PDBsum6mwe
PubMed28838996
UniProtQ02763|TIE2_HUMAN Angiopoietin-1 receptor (Gene Name=TEK)

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