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MolNFT v1 · #82124 · protein + DNA

Structure of P73 DNA binding domain tetramer modulates P73 transactivation

3VD0 · Tumor protein P73: “Structure of P73 DNA binding domain tetramer modulates P73 transactivation”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.81). MolNFT v1 #82124 on GenesisL1: 3D structure, binding sites and…

PDB
3VD0
Type
protein + DNA
Length
1,702 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tumor protein P73; DNA (5'-D(*CP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*G)-3')
UniProt
O15350
Ligands
ZN
Pockets
20 · best druggability 0.81

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CTumor protein P73protein2027% helix, 33% strandO15350
B, LTumor protein P73protein2018% helix, 31% strandO15350
DTumor protein P73protein20010% helix, 35% strandO15350
I, JTumor protein P73protein19910% helix, 33% strandO15350
KTumor protein P73protein20611% helix, 30% strandO15350
E, HDNA (5'-D(*CP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*G)-3')dna11——
F, GDNA (5'-D(*CP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*G)-3')dna11——
M, N, O, PDNA (5'-D(*CP*AP*GP*GP*CP*AP*TP*GP*CP*CP*TP*G)-3')dna12——

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, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16340.810.8680empty
27560.800.8494empty
37420.790.8373empty
43420.770.8742empty
54240.760.8639empty

Interfaces

43 interfaces between chains.

  • B–I · 874 Ų buried · 5 hydrogen bonds · protein-protein
  • J–K · 650 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 650 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 577 Ų buried · 8 hydrogen bonds · protein-protein
  • O–P · 566 Ų buried · 60 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3VD0 · structure of p73 DNA binding domain tetramer modulates p73 transactivation · the same entry in another collection · chain A against A, TM-score 1.00

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