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The crystal structure of ARF6-MKLP1 (mitotic kinesin-like protein 1) complex

Analyse The crystal structure of ARF6-MKLP1 (mitotic kinesin-like protein 1) complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VHX
Type
protein
Length
1,050 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP-ribosylation factor 6; Kinesin-like protein KIF23
UniProt
P62331, Q02241
Ligands
GTP, MG
Pockets
13 · best druggability 0.48

Structure

x-ray diffraction · 4 distinct chains · 15% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, GADP-ribosylation factor 6protein16230% helix, 28% strandP62331
B, DKinesin-like protein KIF23protein1066% helix, 43% strandQ02241
FKinesin-like protein KIF23protein1026% helix, 47% strandQ02241
HKinesin-like protein KIF23protein887% helix, 52% strandQ02241

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 4 copies · chains A, C, E, G
  • MG · Magnesium ion · metal · 4 copies · chains A, C, E, G
  • GOL · Glycerol · additive · chains E, F

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

Pockets

13 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.480.8124GTP, MG
2940.470.8124GTP, MG
31000.470.8024GTP, MG
4720.470.8321empty
5960.460.8023GTP, MG

Interfaces

10 interfaces between chains.

  • C–D · 1177 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1171 Ų buried · 24 hydrogen bonds · protein-protein
  • F–H · 1096 Ų buried · 26 hydrogen bonds · protein-protein
  • B–D · 1068 Ų buried · 22 hydrogen bonds · protein-protein
  • E–F · 998 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 3VHX · The crystal structure of Arf6-MKLP1 (Mitotic kinesin-like protein 1) complex · the same entry in another collection · chain H against H, TM-score 1.00
  • P62331 · AlphaFold monomer V2.0 prediction for ADP-ribosylation factor 6 (P62331) · a predicted model of the same protein · chain C against A, TM-score 0.99

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