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Cryo-EM structure of gtpgammas-microtubule co-polymerised with doublecortin

Analyse Cryo-EM structure of gtpgammas-microtubule co-polymerised with doublecortin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EVY
Type
protein
Length
5,166 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha-1B chain; Tubulin beta chain
UniProt
Q2XVP4, P02554
Ligands
GTP, GSP, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 2 distinct chains · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
E, J, C, L, A, KTubulin alpha-1B chainprotein43241% helix, 15% strandQ2XVP4
F, G, D, I, B, HTubulin beta chainprotein42942% helix, 18% strandP02554

Ligands and binding sites

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

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
13980.850.9357GSP
23800.840.9352GSP
33780.840.9347GSP
42850.840.9544GTP, MG
52820.830.9543GTP, MG

Interfaces

17 interfaces between chains.

  • F–J · 2044 Ų buried · 21 hydrogen bonds · protein-protein
  • A–H · 2039 Ų buried · 21 hydrogen bonds · protein-protein
  • K–B · 2039 Ų buried · 21 hydrogen bonds · protein-protein
  • E–G · 2038 Ų buried · 21 hydrogen bonds · protein-protein
  • L–D · 2036 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 6EVY · Cryo-EM structure of GTPgammaS-microtubule co-polymerised with doublecortin · the same entry in another collection · chain E against E, TM-score 1.00

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