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MolNFT v1 · #63284 · protein

The structure of a previously undetected carboxysome shell protein: CSOS1D from prochlorococcus marinus MED4

3F56: “The structure of a previously undetected carboxysome shell protein: CSOS1D from prochlorococcus marinus MED4”. X-ray diffraction, 17 pockets (best druggability 0.67). MolNFT v1 #63284 on GenesisL1: 3D structure, binding sites and…

PDB
3F56
Type
protein
Length
1,232 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CSOS1D
UniProt
Q7V2D3
Pockets
17 · best druggability 0.67

Structure

x-ray diffraction · 5 distinct chains · 40% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACSOS1Dprotein20741% helix, 29% strandQ7V2D3
BCSOS1Dprotein20941% helix, 28% strandQ7V2D3
CCSOS1Dprotein20842% helix, 28% strandQ7V2D3
D, FCSOS1Dprotein20439% helix, 29% strandQ7V2D3
ECSOS1Dprotein20039% helix, 30% strandQ7V2D3

Pockets

17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13400.670.8148empty
21710.670.8625empty
31500.650.8624empty
42440.640.8229empty
52390.630.8233empty

Interfaces

15 interfaces between chains.

  • A–B · 1198 Ų buried · 23 hydrogen bonds · protein-protein
  • B–C · 1134 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 1134 Ų buried · 22 hydrogen bonds · protein-protein
  • B–F · 998 Ų buried · 15 hydrogen bonds · protein-protein
  • C–E · 995 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 42 modified (engineered).

Compared structures

  • 3F56 · The structure of a previously undetected carboxysome shell protein: CsoS1D from… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q7V2D3 · AlphaFold monomer V2.0 prediction for carboxysome shell protein CSOS1D (Q7V2D3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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