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Crystal structure of EPHA4 kinase domain in complex with vuf 12058

Analyse Crystal structure of EPHA4 kinase domain in complex with vuf 12058 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2XYU
Type: protein
Length: 260 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ephrin type-a receptor 4,
EC: 2.7.10.1
UniProt: Q03137
Ligands: Q9G
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ephrin type-a receptor 4, (EC 2.7.10.1)	protein	260	42% helix, 17% strand	Q03137

Ligands and binding sites

Q9G · 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinolin-1-amine · ligand · chains A
GOL · Glycerol · additive · 6 copies · 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	266	0.60	0.79	27	Q9G

Compared structures

2XYU · Crystal structure of EphA4 kinase domain in complex with VUF 12058 · the same entry in another collection · chain A against A, TM-score 1.00
Q03137 · AlphaFold monomer V2.0 prediction for ephrin type-a receptor 4 (Q03137) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q03137
Elsewhere: RCSB PDB 2XYU · PDBe 2XYU · UniProt Q03137

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