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Crystal structure of kinesin-3 KIF13B motor domain in amppnp form

Analyse Crystal structure of kinesin-3 KIF13B motor domain in amppnp form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5ZBR
Type
protein
Length
983 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kinesin family member 13B
UniProt
A0A0G2K8Z9
Ligands
ANP, MG, PO4
Pockets
14 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 33% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BKinesin family member 13Bprotein33034% helix, 31% strandA0A0G2K8Z9
AKinesin family member 13Bprotein32932% helix, 30% strandA0A0G2K8Z9
CKinesin family member 13Bprotein32433% helix, 30% strandA0A0G2K8Z9

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 3 copies · chains B, A, C
  • MG · Magnesium ion · metal · 5 copies · chains B, A, C
  • PO4 · Phosphate ion · ion · 3 copies · chains B, A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11250.690.9028empty
22500.660.8337empty
34270.640.7843empty
41600.610.8427empty
53100.520.7443empty

Interfaces

3 interfaces between chains.

  • B–A · 574 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 188 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 22 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5ZBR · Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form · the same entry in another collection · chain B against B, TM-score 1.00

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