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13PF wildtype microtubule from recombinant human tubulin decorated with kinesin

Analyse 13PF wildtype microtubule from recombinant human tubulin decorated with kinesin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SJ8
Type
protein
Length
5,184 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha-1B chain; Tubulin beta-3 chain
UniProt
P68363, Q13509
Ligands
GTP, GDP, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 2 distinct chains · 47% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, J, K, LTubulin alpha-1B chainprotein43545% helix, 14% strandP68363
F, D, G, H, I, BTubulin beta-3 chainprotein42948% helix, 17% strandQ13509

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 6 copies · chains A, H, C, I, E, G, J, F, K, B, L, D
  • GDP · Guanosine-5'-diphosphate · ligand · 6 copies · chains E, F, C, D, G, H, I, A, B
  • MG · Magnesium ion · metal · 6 copies · chains A, C, E, J, K, L

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13910.860.9459GDP
23340.840.9454GDP
33790.840.9356GDP
42450.830.9642GTP, MG
52330.830.9640GTP, MG

Interfaces

17 interfaces between chains.

  • J–F · 1960 Ų buried · 22 hydrogen bonds · protein-protein
  • E–G · 1959 Ų buried · 21 hydrogen bonds · protein-protein
  • K–B · 1954 Ų buried · 20 hydrogen bonds · protein-protein
  • A–H · 1948 Ų buried · 21 hydrogen bonds · protein-protein
  • L–D · 1941 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 7SJ8 · 13pf wildtype microtubule from recombinant human tubulin decorated with kinesin · the same entry in another collection · chain B against B, TM-score 1.00

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