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MolNFT v1 · #151145 · protein

Crystal structure of ephrin A2 (EPHA2) receptor protein kinase with the nvp-BHG712 derivative AT061

6HEV · Ephrin type-a receptor 2: “Crystal structure of ephrin A2 (EPHA2) receptor protein kinase with the nvp-BHG712 derivative AT061”. X-ray diffraction, 1 ligand (G0K), 1 pocket (best druggability 0.69). MolNFT v1 #151145 on GenesisL1…

PDB
6HEV
Type
protein
Length
275 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ephrin type-a receptor 2
UniProt
P29317
Ligands
G0K
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEphrin type-a receptor 2protein27541% helix, 17% strandP29317

Ligands and binding sites

  • G0K · 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13660.690.8246G0K

Compared structures

  • 6HEV · Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712… · the same entry in another collection · chain A against A, TM-score 1.00
  • P29317 · AlphaFold monomer V2.0 prediction for ephrin type-a receptor 2 (P29317) · a predicted model of the same protein · chain A against A, TM-score 0.93

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