MolNFT v1 · #60797 · protein

Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in complex with [7-(2-{2-[3-(3-chloro-phenyl)-ureido]-thiazol- 5-yl}-ethylamino)-PYRAZOLO[4,3-D]PYRIMIDIN-1-yl]-acetic acid

3D2K · SERINE/THREONINE kinase 6: “Crystal structure of mouse aurora a (ASN186->gly, LYS240->arg, MET302- >leu) in complex with…”. X-ray diffraction, 1 ligand (AK4), 1 pocket (best druggability 0.71). MolNFT v1 #60797 on GenesisL1: 3D…

PDB: 3D2K
Type: protein
Length: 245 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE kinase 6
EC: 2.7.11.1
UniProt: Q8C3H8
Ligands: AK4
Pockets: 1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE kinase 6 (EC 2.7.11.1)	protein	245	42% helix, 19% strand	Q8C3H8

Ligands and binding sites

AK4 · (7-{[2-(2-{[(3-chlorophenyl)carbamoyl]amino}-1,3-thiazol-5-yl)ethyl]amino}-1H-pyrazolo[4,3-d]pyrimidin-1-yl)acetic acid · 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	375	0.71	0.82	38	AK4

Compared structures

3D2K · Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex… · 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 Q8C3H8
Elsewhere: RCSB PDB 3D2K · PDBe 3D2K · UniProt Q8C3H8

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