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Crystal structure of the TTBK2-CEP164 complex bound to a camelid nanobody

Analyse Crystal structure of the TTBK2-CEP164 complex bound to a camelid nanobody in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7O3B
Type
protein
Length
709 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nanobody 36Z; Tau-tubulin kinase 2,CENTROSOMAL protein of 164 kda
EC
2.7.11.1
UniProt
Q6IQ55, Q9UPV0
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 4 distinct chains · 11% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANanobody 36Zprotein1225% helix, 53% strand—
BNanobody 36Zprotein1245% helix, 52% strand—
CNanobody 36Zprotein1215% helix, 54% strand—
G, H, ITau-tubulin kinase 2,CENTROSOMAL protein of 164 kda (EC 2.7.11.1)protein11431% helix, 18% strandQ6IQ55, Q9UPV0

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13580.620.7824empty
24030.610.7729empty
33070.610.7946empty
43380.600.7725empty

Interfaces

5 interfaces between chains.

  • B–H · 1443 Ų buried · 26 hydrogen bonds · protein-protein
  • C–I · 1406 Ų buried · 19 hydrogen bonds · protein-protein
  • A–G · 1365 Ų buried · 24 hydrogen bonds · protein-protein
  • B–G · 739 Ų buried · 9 hydrogen bonds · protein-protein
  • G–I · 162 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 7O3B · Crystal structure of the TTBK2-CEP164 complex bound to a camelid nanobody · the same entry in another collection · chain I against I, TM-score 1.00
  • Q9UPV0 · AlphaFold monomer V2.0 prediction for centrosomal protein of 164 kda (Q9UPV0) · a predicted model of the same protein · chain G against A, TM-score 0.77
  • Q6IQ55 · AlphaFold monomer V2.0 prediction for tau-tubulin kinase 2 (Q6IQ55) · a predicted model of the same protein · chain G against A, TM-score 0.38

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