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Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the nucleotide-free state

Analyse Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VPP
Type
protein
Length
1,164 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha-1A chain; Tubulin beta chain; Kinesin-like protein KLP61F
UniProt
P02550, P02554, P46863
Ligands
GTP, GDP, MG
Pockets
17 · best druggability 0.83

Structure

electron microscopy · 3 distinct chains · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATubulin alpha-1A chainprotein42843% helix, 17% strandP02550
BTubulin beta chainprotein42148% helix, 19% strandP02554
CKinesin-like protein KLP61Fprotein31534% helix, 23% strandP46863

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A, B
  • GDP · Guanosine-5'-diphosphate · ligand · chains B
  • MG · Magnesium ion · metal · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12600.830.9541GTP, MG
29700.810.8291empty
3860.780.9817empty
46030.730.8085empty
5560.710.9720empty

Interfaces

3 interfaces between chains.

  • A–B · 1887 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 756 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 580 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 6VPP · Cryo-EM structure of microtubule-bound KLP61F motor with tail domain in the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P02550 · AlphaFold monomer V2.0 prediction for tubulin alpha-1A chain (P02550) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P46863 · AlphaFold monomer V2.0 prediction for kinesin-like protein KLP61F (P46863) · a predicted model of the same protein · chain C against A, TM-score 0.87

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