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Crystal structure of a polypeptide P53 mutant bound to DNA

Analyse Crystal structure of a polypeptide P53 mutant bound to DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MZR
Type
protein + DNA
Length
988 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellular tumor antigen P53; Consensus DNA sense strand; Consensus DNA anti-sense strand
UniProt
P04637
Ligands
ZN
Pockets
17 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DCellular tumor antigen P53protein23420% helix, 31% strandP04637
KConsensus DNA sense stranddna26——
LConsensus DNA anti-sense stranddna26——

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110290.750.78113empty
26130.700.7873empty
34740.700.8054empty
44620.690.8037empty
54900.590.7550empty

Interfaces

13 interfaces between chains.

  • A–C · 2013 Ų buried · 27 hydrogen bonds · protein-protein
  • B–D · 1914 Ų buried · 30 hydrogen bonds · protein-protein
  • K–L · 1112 Ų buried · 106 hydrogen bonds · nucleic-nucleic
  • B–L · 400 Ų buried · 9 hydrogen bonds · protein-nucleic
  • C–D · 398 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4MZR · Crystal structure of a polypeptide p53 mutant bound to DNA · the same entry in another collection · chain B against B, TM-score 1.00

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