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MolNFT v1 · #54687 · protein

Crystal structure of the DNA-binding domain of human P53 with extended N terminus

2XWR · Cellular tumor antigen P53: “Crystal structure of the DNA-binding domain of human P53 with extended N terminus”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.43). MolNFT v1 #54687 on GenesisL1: 3D structure…

PDB
2XWR
Type
protein
Length
399 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellular tumor antigen P53
UniProt
P04637
Ligands
ZN
Pockets
4 · best druggability 0.43

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACellular tumor antigen P53protein1999% helix, 33% strandP04637
BCellular tumor antigen P53protein20010% helix, 33% strandP04637

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.430.8019empty
21010.400.7621empty
31150.390.7520empty
41050.380.7522empty

Interfaces

1 interface between chains.

  • A–B · 267 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2XWR · Crystal structure of the DNA-binding domain of human p53 with extended N terminus · the same entry in another collection · chain A against A, TM-score 1.00

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