MolNFT v1 · #151144 · protein

Crystal structure of ephrin A2 (EPHA2) receptor protein kinase with the nvp-BHG712 derivative AT058

6HEU · Ephrin type-a receptor 2: “Crystal structure of ephrin A2 (EPHA2) receptor protein kinase with the nvp-BHG712 derivative AT058”. X-ray diffraction, 1 ligand (G0N), 2 pockets (best druggability 0.69). MolNFT v1 #151144 on GenesisL1…

PDB: 6HEU
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: G0N
Pockets: 2 · best druggability 0.69

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ephrin type-a receptor 2	protein	275	41% helix, 17% strand	P29317

Ligands and binding sites

G0N · 3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	373	0.69	0.81	48	G0N
2	59	0.32	0.76	18	empty

Compared structures

6HEU · 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

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P29317
Elsewhere: RCSB PDB 6HEU · PDBe 6HEU · UniProt P29317

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