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Crystal structure of the motor domain of human kinesin family member 3B in complex with ADP

Analyse Crystal structure of the motor domain of human kinesin family member 3B in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3B6U
Type
protein
Length
666 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kinesin-like protein KIF3B
UniProt
O15066
Ligands
ADP, MG, UNX
Pockets
12 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKinesin-like protein KIF3Bprotein32333% helix, 29% strandO15066
BKinesin-like protein KIF3Bprotein34332% helix, 29% strandO15066

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • UNX · Unknown atom or ion · ion · 5 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13550.650.8036empty
23700.630.7931empty
32670.590.7933empty
41070.460.7930MG
51060.430.7822UNX

Interfaces

1 interface between chains.

  • A–B · 924 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 3B6U · Crystal structure of the motor domain of human kinesin family member 3B in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • O15066 · AlphaFold monomer V2.0 prediction for kinesin-like protein KIF3B (O15066) · a predicted model of the same protein · chain B against A, TM-score 0.97

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