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MolNFT v1 · #1294 · protein

HUMAN PCNA

1AXC: “HUMAN PCNA”. X-ray diffraction, 8 pockets (best druggability 0.39). MolNFT v1 #1294 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1AXC
Type
protein
Length
804 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
PCNA; P21/WAF1
UniProt
P12004, P38936
Pockets
8 · best druggability 0.39

Structure

x-ray diffraction · 4 distinct chains · 19% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APCNAprotein24919% helix, 49% strandP12004
B, D, FP21/WAF1protein1817% helix, 44% strandP38936
CPCNAprotein24819% helix, 50% strandP12004
EPCNAprotein25319% helix, 48% strandP12004

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.390.7817empty
2820.390.7717empty
3710.360.7716empty
4800.340.7519empty
5630.320.7620empty

Interfaces

6 interfaces between chains.

  • C–D · 1131 Ų buried · 28 hydrogen bonds · protein-protein
  • E–F · 1118 Ų buried · 30 hydrogen bonds · protein-protein
  • A–B · 1116 Ų buried · 30 hydrogen bonds · protein-protein
  • A–E · 729 Ų buried · 11 hydrogen bonds · protein-protein
  • C–E · 721 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 1AXC · HUMAN PCNA · the same entry in another collection · chain C against C, 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 B against A, TM-score 0.17

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