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MolNFT v1 · #162647 · protein

Cryo-EM structure of the N-terminal dc repeat (ndc) of ndc-ndc chimera (human sequence) bound to 13-protofilament GDP-microtubule

6RF8 · Neuronal migration protein doublecortin: “Cryo-EM structure of the N-terminal dc repeat (ndc) of ndc-ndc chimera (human sequence) bound to…”. Electron microscopy, 3 ligands (GDP, GTP, MG), 20 pockets (best druggability 0.85). MolNFT…

PDB
6RF8
Type
protein
Length
1,821 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Neuronal migration protein doublecortin; Tubulin beta-2B chain; Tubulin alpha-1B chain
UniProt
O43602, Q6B856, P81947
Ligands
GDP, GTP, MG
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 39% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
NNeuronal migration protein doublecortinprotein9913% helix, 18% strandO43602
b, BTubulin beta-2B chainprotein42942% helix, 18% strandQ6B856
A, aTubulin alpha-1B chainprotein43241% helix, 14% strandP81947

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains b, a, A, B
  • GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, a
  • 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, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13610.850.9456GDP
23490.840.9351GDP
311800.820.83123empty
47830.790.8379empty
55870.730.8152empty

Interfaces

8 interfaces between chains.

  • b–a · 1893 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1829 Ų buried · 16 hydrogen bonds · protein-protein
  • N–B · 505 Ų buried · 3 hydrogen bonds · protein-protein
  • A–a · 466 Ų buried · 4 hydrogen bonds · protein-protein
  • N–b · 457 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6RF8 · Cryo-EM structure of the N-terminal DC repeat (NDC) of NDC-NDC chimera (human sequence)… · the same entry in another collection · chain N against N, 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 0.88

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