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KIF14[391-748] - ADP-alfx in complex with a microtubule

Analyse KIF14[391-748] - ADP-alfx in complex with a microtubule in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WWN
Type
protein
Length
1,230 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha-1B chain; Tubulin beta-2B chain; Kinesin-like protein KIF14
UniProt
Q2XVP4, A0A287AGU7, L0N7N1
Ligands
GTP, GDP, TA1, AF3, ADP, MG
Pockets
14 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATubulin alpha-1B chainprotein44039% helix, 13% strandQ2XVP4
BTubulin beta-2B chainprotein42945% helix, 16% strandA0A287AGU7
KKinesin-like protein KIF14protein36127% helix, 27% strandL0N7N1

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · chains A, B
  • GDP · Guanosine-5'-diphosphate · ligand · chains B
  • TA1 · Taxol · ligand · chains B
  • AF3 · Aluminum fluoride · ligand · chains K
  • ADP · Adenosine-5'-diphosphate · ligand · chains K
  • MG · Magnesium ion · metal · 2 copies · chains A, K

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13330.850.9545GTP, MG
211220.780.8079empty
33290.710.8450empty
43870.640.7856AF3, ADP, MG
51760.580.8232empty

Interfaces

3 interfaces between chains.

  • A–B · 2074 Ų buried · 15 hydrogen bonds · protein-protein
  • A–K · 761 Ų buried · 5 hydrogen bonds · protein-protein
  • B–K · 743 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6WWN · KIF14[391-748] - ADP-AlFx in complex with a microtubule · the same entry in another collection · chain A against A, TM-score 1.00
  • L0N7N1 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF14 (L0N7N1) · a predicted model of the same protein · chain K against A, TM-score 0.94

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