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MolNFT v1 · #105919 · protein

Crystal structure of the human sliding clamp at 2.0 ångström resolution

4RJF · Proliferating cell nuclear antigen: “Crystal structure of the human sliding clamp at 2.0 ångström resolution”. X-ray diffraction, 9 pockets (best druggability 0.78). MolNFT v1 #105919 on GenesisL1: 3D structure, binding sites and…

PDB
4RJF
Type
protein
Length
814 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proliferating cell nuclear antigen; Cyclin-dependent kinase inhibitor 1
UniProt
P12004, P38936
Pockets
9 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 17% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProliferating cell nuclear antigenprotein25517% helix, 48% strandP12004
BCyclin-dependent kinase inhibitor 1protein2015% helix, 40% strandP38936
CProliferating cell nuclear antigenprotein25317% helix, 49% strandP12004
DCyclin-dependent kinase inhibitor 1protein1916% helix, 42% strandP38936
EProliferating cell nuclear antigenprotein24916% helix, 48% strandP12004
FCyclin-dependent kinase inhibitor 1protein1817% helix, 33% strandP38936

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.780.9924empty
210560.730.77100empty
36570.710.7974empty
4560.570.9018empty
51060.500.8118empty

Interfaces

9 interfaces between chains.

  • A–B · 1174 Ų buried · 27 hydrogen bonds · protein-protein
  • E–F · 1146 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 1105 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 452 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 305 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4RJF · Crystal structure of the human sliding clamp at 2.0 angstrom resolution · the same entry in another collection · chain F against F, TM-score 1.00
  • P38936 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase inhibitor 1 (P38936) · a predicted model of the same protein · chain F against A, TM-score 0.26

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