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MolNFT v1 · #148067 · protein

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

6EVZ · Tubulin beta chain: “Cryo-EM structure of GDP-microtubule co-polymerised with doublecortin”. Electron microscopy, 3 ligands (GDP, GTP, MG), 20 pockets (best druggability 0.85). MolNFT v1 #148067 on GenesisL1: 3D structure, binding…

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

Structure

electron microscopy · 2 distinct chains · 39% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, G, D, I, B, HTubulin beta chainprotein42939% helix, 17% strandP02554
A, E, J, C, L, KTubulin alpha-1B chainprotein43239% helix, 16% strandQ2XVP4

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 6 copies · chains F, E, G, D, C, I, A, B, H
  • GTP · Guanosine-5'-triphosphate · ligand · 6 copies · chains A, H, G, E, F, J, I, C, D, L, B, K
  • MG · Magnesium ion · metal · 6 copies · chains A, E, F, J, C, D, L, B, 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
13350.850.9450GDP
23460.840.9455GDP
33110.840.9543GTP, MG
42990.840.9543GTP, MG
53370.840.9452GDP

Interfaces

17 interfaces between chains.

  • I–C · 1974 Ų buried · 24 hydrogen bonds · protein-protein
  • F–J · 1952 Ų buried · 20 hydrogen bonds · protein-protein
  • G–E · 1951 Ų buried · 21 hydrogen bonds · protein-protein
  • D–L · 1950 Ų buried · 21 hydrogen bonds · protein-protein
  • F–E · 1945 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

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

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