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MolNFT v1 · #148065 · protein

Cryo-EM structure of GDP.PI-microtubule rapidly co-polymerised with doublecortin

6EVX · Tubulin beta chain: “Cryo-EM structure of GDP.PI-microtubule rapidly co-polymerised with doublecortin”. Electron microscopy, 4 ligands (GDP, GTP, MG), 20 pockets (best druggability 0.84). MolNFT v1 #148065 on GenesisL1: 3D…

PDB
6EVX
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, PO4
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 2 distinct chains · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, G, D, I, B, HTubulin beta chainprotein42941% helix, 17% strandP02554
A, E, J, C, L, KTubulin alpha-1B chainprotein43240% helix, 17% 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, J, C, L, K
  • PO4 · Phosphate ion · ion · 6 copies · chains A, B, G, I, H, F, E, D, C

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
13870.840.9358PO4, GDP
22930.840.9540GTP, MG
32950.830.9442GTP, MG
42960.830.9445GTP, MG
54880.830.9074GDP, PO4

Interfaces

17 interfaces between chains.

  • I–C · 2002 Ų buried · 20 hydrogen bonds · protein-protein
  • F–J · 1996 Ų buried · 20 hydrogen bonds · protein-protein
  • B–K · 1995 Ų buried · 21 hydrogen bonds · protein-protein
  • D–L · 1992 Ų buried · 20 hydrogen bonds · protein-protein
  • A–H · 1988 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

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

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