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Crystal structure of the danio rerio centrosomal protein CEP135 coiled-coil fragment 64-190

Analyse Crystal structure of the danio rerio centrosomal protein CEP135 coiled-coil… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BJI
Type
protein
Length
344 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Centrosomal protein of 135 kda
UniProt
Q5RG45
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 4 distinct chains · 97% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACentrosomal protein of 135 kdaprotein8298% helix, 0% strandQ5RG45
BCentrosomal protein of 135 kdaprotein9298% helix, 0% strandQ5RG45
CCentrosomal protein of 135 kdaprotein8098% helix, 0% strandQ5RG45
DCentrosomal protein of 135 kdaprotein9096% helix, 0% strandQ5RG45

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, C, D
  • ACT · Acetate ion · additive · 2 copies · chains A, C, D, B
  • PGE · Triethylene glycol · additive · chains A, C
  • GOL · Glycerol · additive · chains A, C

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1570.440.8312ACT

Interfaces

6 interfaces between chains.

  • B–D · 2499 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 2256 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 310 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 290 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 245 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7BJI · Crystal structure of the Danio rerio centrosomal protein Cep135 coiled-coil fragment… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q5RG45 · AlphaFold monomer V2.0 prediction for centrosomal protein of 135 kda (Q5RG45) · a predicted model of the same protein · chain C against A, TM-score 0.92

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