MolNFT v1 · #61088 · protein

Crystal structure of an activated (thr->asp) polo-like kinase 1 (PLK1) catalytic domain in complex with compound 902

3DB6: “Crystal structure of an activated (thr->asp) polo-like kinase 1 (PLK1) catalytic domain in complex with…”. X-ray diffraction, 1 ligand (FRS), 3 pockets (best druggability 0.71). MolNFT v1 #61088 on GenesisL1: 3D structure, binding…

PDB: 3DB6
Type: protein
Length: 287 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polo-like kinase 1
EC: 2.7.11.21
UniProt: Q4KMI8
Ligands: FRS
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polo-like kinase 1 (EC 2.7.11.21)	protein	287	34% helix, 20% strand	Q4KMI8

Ligands and binding sites

FRS · 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	491	0.71	0.80	42	FRS
2	95	0.42	0.78	22	empty
3	51	0.28	0.75	13	empty

Compared structures

3DB6 · Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain… · 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 Q4KMI8
Elsewhere: RCSB PDB 3DB6 · PDBe 3DB6 · UniProt Q4KMI8

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