MolNFT v1 · #81354 · protein

Aurora a in complex with RPM1680

3UO4 · Aurora kinase a: “Aurora a in complex with RPM1680”. X-ray diffraction, 1 ligand (0C0), 3 pockets (best druggability 0.64). MolNFT v1 #81354 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UO4
Type: protein
Length: 266 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aurora kinase a
EC: 2.7.11.1
UniProt: O14965
Ligands: 0C0
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aurora kinase a (EC 2.7.11.1)	protein	266	39% helix, 17% strand	O14965

Ligands and binding sites

0C0 · 4-{[4-(biphenyl-2-ylamino)pyrimidin-2-yl]amino}benzoic acid · ligand · chains A
EDO · 1,2-ethanediol · additive · 3 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	284	0.64	0.81	27	0C0
2	53	0.57	0.91	23	empty
3	120	0.49	0.80	20	empty

Compared structures

3UO4 · Aurora A in complex with RPM1680 · the same entry in another collection · chain A against A, TM-score 1.00
O14965 · AlphaFold monomer V2.0 prediction for aurora kinase a (O14965) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 O14965
Elsewhere: RCSB PDB 3UO4 · PDBe 3UO4 · UniProt O14965

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