MolNFT v1 · #85962 · protein

EG5 complex 1

4AS7 · Kinesin-like protein KIF11: “EG5 complex 1”. X-ray diffraction, 5 ligands (ADP, 6LX, CD), 3 pockets (best druggability 0.66). MolNFT v1 #85962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4AS7
Type: protein
Length: 349 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kinesin-like protein KIF11
UniProt: P52732
Ligands: ADP, 6LX, CD, CO, CL
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kinesin-like protein KIF11	protein	349	33% helix, 29% strand	P52732

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
6LX · N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-chromen-2-yl)-2-methylpropyl]-4-methylbenzamide · ligand · chains A
CD · Cadmium ion · metal · 6 copies · chains A
CO · Cobalt (II) ion · metal · chains A
CL · Chloride ion · ion · 4 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	239	0.66	0.83	27	6LX
2	169	0.51	0.78	21	empty
3	72	0.37	0.78	19	CD

Compared structures

4AS7 · Eg5 complex 1 · 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 P52732
Elsewhere: RCSB PDB 4AS7 · PDBe 4AS7 · UniProt P52732

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