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MolNFT v1 · #33462 · protein

The structure of the dps-like protein from sulfolobus solfataricus reveals a bacterioferritin-like di-metal binding site within a dps-like dodecameric assembly

2CLB: “The structure of the dps-like protein from sulfolobus solfataricus reveals a bacterioferritin-like di-metal…”. X-ray diffraction, 2 ligands (ZN, FE), 3 pockets (best druggability 0.66). MolNFT v1 #33462 on GenesisL1: 3D structure…

PDB
2CLB
Type
protein
Length
1,347 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dps-like protein
UniProt
P95855
Ligands
ZN, FE
Pockets
3 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, M, ODps-like proteinprotein16973% helix, 0% strandP95855
BDps-like proteinprotein16773% helix, 0% strandP95855
D, N, PDps-like proteinprotein16874% helix, 0% strandP95855

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, D, M, N, O, P
  • FE · Fe (III) ion · metal · 8 copies · chains A, B, C, D, M, N, O, P

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13400.660.8146empty
23410.660.8047empty
3620.300.7516empty

Interfaces

10 interfaces between chains.

  • M–N · 1359 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1345 Ų buried · 23 hydrogen bonds · protein-protein
  • M–O · 993 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 990 Ų buried · 15 hydrogen bonds · protein-protein
  • N–O · 547 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 modified (engineered).

Compared structures

  • 2CLB · The structure of the DPS-like protein from Sulfolobus solfataricus reveals a… · the same entry in another collection · chain P against P, TM-score 1.00
  • P95855 · AlphaFold monomer V2.0 prediction for DNA protection during starvation protein (P95855) · a predicted model of the same protein · chain B against A, TM-score 0.99

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