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MolNFT v1 · #10154 · protein

Crystal structure of the mitotic kinesin EG5 in complex with mg-ADP.

1II6 · Kinesin-related motor protein EG5: “Crystal structure of the mitotic kinesin EG5 in complex with mg-ADP.”. X-ray diffraction, 3 ligands (ADP, MG, NO3), 5 pockets (best druggability 0.80). MolNFT v1 #10154 on GenesisL1: 3D structure…

PDB
1II6
Type
protein
Length
675 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kinesin-related motor protein EG5
UniProt
P52732
Ligands
ADP, MG, NO3
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKinesin-related motor protein EG5protein34034% helix, 27% strandP52732
BKinesin-related motor protein EG5protein33532% helix, 29% strandP52732

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • NO3 · Nitrate ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111420.800.82120MG, ADP
2640.560.8919empty
32180.540.7831empty
42020.540.7833empty
51500.510.7927empty

Interfaces

1 interface between chains.

  • A–B · 1044 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 1II6 · Crystal Structure of the Mitotic Kinesin Eg5 in Complex with Mg-ADP. · the same entry in another collection · chain A against A, TM-score 1.00
  • P52732 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF11 (P52732) · a predicted model of the same protein · chain A against A, TM-score 0.90

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