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Transactivation domain of P53 in complex with S100P, using annexin A2 as crystallization chaperone

Analyse Transactivation domain of P53 in complex with S100P, using annexin A2 as… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7NMI
Type
protein
Length
520 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellular tumor antigen P53; S100P-ANXA2 chimera
UniProt
P04637, P25815, P07355
Ligands
CA
Pockets
10 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACellular tumor antigen P53protein3256% helix, 0% strandP04637
BS100P-ANXA2 chimeraprotein48870% helix, 3% strandP25815, P07355

Ligands and binding sites

  • CA · Calcium ion · metal · 9 copies · chains B
  • GOL · Glycerol · additive · chains B

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

Pockets

10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12590.580.7841empty
21840.520.7718empty
3890.490.8221empty
41070.480.8127GOL
51690.470.7623empty

Interfaces

1 interface between chains.

  • A–B · 1409 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 7NMI · Transactivation domain of p53 in complex with S100P, using annexin A2 as crystallization… · the same entry in another collection · chain A against A, TM-score 1.00
  • P07355 · AlphaFold monomer V2.0 prediction for annexin A2 (P07355) · a predicted model of the same protein · chain B against A, TM-score 0.63
  • P25815 · AlphaFold monomer V2.0 prediction for protein S100-P (P25815) · a predicted model of the same protein · chain B against A, TM-score 0.19

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