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Crystal structure of C-met in complex with (R)-5-(8-fluoro-3-(1- fluoro-1-(3-methoxyquinolin-6-YL)ETHYL)-[1,2,4]TRIAZOLO[4,3- A]PYRIDIN-6-yl)-3-methylisoxazole

Analyse Crystal structure of C-met in complex with (R)-5-(8-fluoro-3-(1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XMO
Type
protein
Length
289 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hepatocyte growth factor receptor
EC
2.7.10.1
UniProt
P08581
Ligands
46G
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHepatocyte growth factor receptor (EC 2.7.10.1)protein28943% helix, 16% strandP08581

Ligands and binding sites

  • 46G · 6-{(1R)-1-fluoro-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-methoxyquinoline · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12360.640.822846G
2890.360.7512empty
3800.360.7613empty

Compared structures

  • 4XMO · Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinoli… · the same entry in another collection · chain A against A, TM-score 1.00

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