MolNFT v1 · #92270 · protein

Human EPHA3 kinase domain in complex with compound 7

4G2F · Eph receptor A3: “Human EPHA3 kinase domain in complex with compound 7”. X-ray diffraction, 1 ligand (C07), 1 pocket (best druggability 0.59). MolNFT v1 #92270 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4G2F
Type: protein
Length: 275 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Eph receptor A3
EC: 2.7.10.1
UniProt: Q6P4R6
Ligands: C07
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Eph receptor A3 (EC 2.7.10.1)	protein	275	40% helix, 19% strand	Q6P4R6

Ligands and binding sites

C07 · 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	270	0.59	0.79	37	C07

Compared structures

4G2F · Human EphA3 kinase domain in complex with compound 7 · the same entry in another collection · chain A against A, TM-score 1.00

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 Q6P4R6
Elsewhere: RCSB PDB 4G2F · PDBe 4G2F · UniProt Q6P4R6

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