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MolNFT v1 · #21498 · protein

Crystal structure of the cell cycle regulatory protein SUC1 reveals a novel beta-hinge conformational switch

1SCE: “Crystal structure of the cell cycle regulatory protein SUC1 reveals a novel beta-hinge conformational switch”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.64). MolNFT v1 #21498 on GenesisL1: 3D structure…

PDB
1SCE
Type
protein
Length
408 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SUC1
UniProt
P08463
Ligands
CL
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 25% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSUC1protein9727% helix, 24% strandP08463
CSUC1protein11123% helix, 21% strandP08463
DSUC1protein10326% helix, 19% strandP08463

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B, C

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12010.640.8336empty
2660.540.8718empty
31950.490.7630CL
41380.380.7320empty

Interfaces

5 interfaces between chains.

  • A–C · 2283 Ų buried · 39 hydrogen bonds · protein-protein
  • B–D · 2190 Ų buried · 34 hydrogen bonds · protein-protein
  • A–B · 694 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 97 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 84 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1SCE · Crystal structure of the cell cycle regulatory protein SUC1 reveals a novel beta-hinge… · the same entry in another collection · chain D against D, TM-score 1.00
  • P08463 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinases regulatory subunit (P08463) · a predicted model of the same protein · chain B against A, TM-score 0.82

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