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MolNFT v1 · #15769 · protein

Crystal structure of SCSKP1-SCCDC4-cpd peptide complex

1NEX · Centromere DNA-binding protein complex CBF3 subunit D: “Crystal structure of SCSKP1-SCCDC4-cpd peptide complex”. X-ray diffraction, 7 pockets (best druggability 0.81). MolNFT v1 #15769 on GenesisL1: 3D structure, binding sites and…

PDB
1NEX
Type
protein
Length
1,159 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Centromere DNA-binding protein complex CBF3 subunit D; CDC4 protein; GLL(TPO)PPQSG
UniProt
P52286, P07834
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 5 distinct chains · 29% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACentromere DNA-binding protein complex CBF3 subunit Dprotein12954% helix, 10% strandP52286
B, DCDC4 proteinprotein44416% helix, 44% strandP07834
CCentromere DNA-binding protein complex CBF3 subunit Dprotein13054% helix, 10% strandP52286
EGLL(TPO)PPQSGprotein40% helix, 0% strand—
FGLL(TPO)PPQSGprotein80% helix, 0% strand—

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16300.810.8646empty
211880.800.8276empty
34130.700.8133empty
4550.370.8016empty
51010.360.7419empty

Interfaces

5 interfaces between chains.

  • A–B · 1389 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 1359 Ų buried · 14 hydrogen bonds · protein-protein
  • D–F · 451 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 442 Ų buried · 4 hydrogen bonds · protein-protein
  • B–E · 337 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 modified (engineered, phosphorylation).

Compared structures

  • 1NEX · Crystal Structure of ScSkp1-ScCdc4-CPD peptide complex · the same entry in another collection · chain F against F, TM-score 1.00
  • P07834 · AlphaFold monomer V2.0 prediction for cell division control protein 4 (P07834) · a predicted model of the same protein · chain D against A, TM-score 0.99
  • P52286 · AlphaFold monomer V2.0 prediction for suppressor of kinetochore protein 1 (P52286) · a predicted model of the same protein · chain A against A, TM-score 0.97

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