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Cryo-EM structure of gmpcpp-microtubule co-polymerized with EB3

Analyse Cryo-EM structure of gmpcpp-microtubule co-polymerized with EB3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3JAL
Type
protein
Length
5,428 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha-1B chain; Tubulin beta chain; Microtubule-associated protein RP/EB family…
UniProt
Q2XVP4, P02554, Q9UPY8
Ligands
GTP, G2P, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 3 distinct chains · 49% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
E, J, C, L, A, KTubulin alpha-1B chainprotein43247% helix, 17% strandQ2XVP4
F, G, D, I, B, HTubulin beta chainprotein42949% helix, 20% strandP02554
N, MMicrotubule-associated protein RP/EB family member 3protein13159% helix, 0% strandQ9UPY8

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 6 copies · chains E, G, F, J, C, I, D, L, A, H, B, K
  • G2P · Phosphomethylphosphonic acid guanylate ester · 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
12630.840.9644GTP, MG
22580.840.9644GTP, MG
32630.840.9547GTP, MG
411570.840.85110empty
52640.830.9545GTP, MG

Interfaces

25 interfaces between chains.

  • D–L · 1964 Ų buried · 17 hydrogen bonds · protein-protein
  • F–J · 1963 Ų buried · 17 hydrogen bonds · protein-protein
  • E–G · 1958 Ų buried · 17 hydrogen bonds · protein-protein
  • B–K · 1957 Ų buried · 17 hydrogen bonds · protein-protein
  • C–I · 1954 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 3JAL · Cryo-EM structure of GMPCPP-microtubule co-polymerized with EB3 · the same entry in another collection · chain H against H, TM-score 1.00

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