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Structure of P73 DNA binding domain complex with 12 bp DNA

Analyse Structure of P73 DNA binding domain complex with 12 bp DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GUO
Type
protein + DNA
Length
1,692 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor protein P73; DNA (5'-D(*CP*GP*GP*GP*CP*AP*AP*GP*CP*CP*CP*G)-3'); DNA…
UniProt
O15350
Ligands
ZN
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 8 distinct chains · 9% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CTumor protein P73protein20110% helix, 33% strandO15350
B, DTumor protein P73protein19810% helix, 35% strandO15350
ITumor protein P73protein1989% helix, 33% strandO15350
JTumor protein P73protein19911% helix, 29% strandO15350
K, LTumor protein P73protein2017% helix, 32% strandO15350
E, M, ODNA (5'-D(*CP*GP*GP*GP*CP*AP*AP*GP*CP*CP*CP*G)-3')dna12——
F, H, N, PDNA (5'-D(*CP*GP*GP*GP*CP*TP*TP*GP*CP*CP*CP*G)-3')dna12——
GDNA (5'-D(*CP*GP*GP*GP*CP*AP*AP*GP*CP*CP*CP*G)-3')dna11——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, D, I, J, K, L

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111030.840.84113empty
29580.770.8097empty
34560.760.8538empty
44500.750.8540empty
56950.750.8168empty

Interfaces

42 interfaces between chains.

  • B–I · 805 Ų buried · 5 hydrogen bonds · protein-protein
  • J–K · 631 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 593 Ų buried · 9 hydrogen bonds · protein-protein
  • M–N · 566 Ų buried · 61 hydrogen bonds · nucleic-nucleic
  • O–P · 564 Ų buried · 66 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4GUO · structure of p73 DNA binding domain complex with 12 bp DNA · the same entry in another collection · chain A against A, TM-score 1.00

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