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Crystal structure of a designed protein heterocatenane

Analyse Crystal structure of a designed protein heterocatenane in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7BWN
Type
protein
Length
2,497 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chimera of green fluorescent protein and P53DIM; Cellular tumor antigen P53
UniProt
A0A059PIQ0, P04637
Pockets
17 · best druggability 0.86

Structure

x-ray diffraction · 7 distinct chains · 36% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, A, C, E, H, J, M, OChimera of green fluorescent protein and P53DIMprotein28023% helix, 45% strandA0A059PIQ0
LCellular tumor antigen P53protein3256% helix, 22% strandP04637
B, ICellular tumor antigen P53protein3253% helix, 22% strandP04637
DCellular tumor antigen P53protein3751% helix, 19% strandP04637
GCellular tumor antigen P53protein3253% helix, 22% strandP04637
K, NCellular tumor antigen P53protein2861% helix, 25% strandP04637
PCellular tumor antigen P53protein3653% helix, 19% strandP04637

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19790.860.8893empty
210180.850.8689empty
311380.830.84107empty
410330.830.8483empty
57160.810.8557empty

Interfaces

37 interfaces between chains.

  • A–B · 1534 Ų buried · 21 hydrogen bonds · protein-protein
  • E–G · 1506 Ų buried · 22 hydrogen bonds · protein-protein
  • C–D · 1502 Ų buried · 19 hydrogen bonds · protein-protein
  • F–L · 1496 Ų buried · 19 hydrogen bonds · protein-protein
  • J–K · 1490 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 7BWN · Crystal Structure of a Designed Protein Heterocatenane · the same entry in another collection · chain F against F, TM-score 1.00

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