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Cryo-EM structure of the N-terminal dc repeat (ndc) of ndc-ndc chimera (human sequence) bound to 14-protofilament GDP-microtubule

Analyse Cryo-EM structure of the N-terminal dc repeat (ndc) of ndc-ndc chimera (human… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6RFD
Type
protein
Length
1,821 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tubulin alpha-1B chain; Tubulin beta-2B chain; Neuronal migration protein doublecortin
UniProt
P81947, Q6B856, O43602
Ligands
GTP, GDP, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 39% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, aTubulin alpha-1B chainprotein43243% helix, 15% strandP81947
B, bTubulin beta-2B chainprotein42943% helix, 17% strandQ6B856
NNeuronal migration protein doublecortinprotein9912% helix, 20% strandO43602

Ligands and binding sites

  • GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, a
  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B, a, b
  • MG · Magnesium ion · metal · 2 copies · chains A, a

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13540.850.9450GDP
24810.830.9071GDP
38350.800.8382empty
46690.800.8474empty
54610.780.8659empty

Interfaces

8 interfaces between chains.

  • A–B · 1884 Ų buried · 20 hydrogen bonds · protein-protein
  • a–b · 1879 Ų buried · 19 hydrogen bonds · protein-protein
  • A–a · 472 Ų buried · 5 hydrogen bonds · protein-protein
  • b–N · 469 Ų buried · 2 hydrogen bonds · protein-protein
  • B–N · 460 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6RFD · Cryo-EM structure of the N-terminal DC repeat (NDC) of NDC-NDC chimera (human sequence)… · the same entry in another collection · chain A against A, TM-score 1.00
  • O43602 · AlphaFold monomer V2.0 prediction for neuronal migration protein doublecortin (O43602) · a predicted model of the same protein · chain N against A, TM-score 0.89

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