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MolNFT v1 · #67706 · protein

Structure of non-mineralized bfrb (as-isolated) from pseudomonas aeruginosa to 2.07A resolution

3ISF · Bacterioferritin: “Structure of non-mineralized bfrb (as-isolated) from pseudomonas aeruginosa to 2.07A resolution”. X-ray diffraction, 2 ligands (HEM, K), 11 pockets (best druggability 0.71). MolNFT v1 #67706 on GenesisL1: 3D…

PDB
3ISF
Type
protein
Length
933 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacterioferritin
UniProt
Q9HY79
Ligands
HEM, K
Pockets
11 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, FBacterioferritinprotein15579% helix, 0% strandQ9HY79
CBacterioferritinprotein15679% helix, 0% strandQ9HY79
DBacterioferritinprotein15778% helix, 0% strandQ9HY79

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D, E, F
  • K · Potassium ion · metal · 2 copies · chains A, D, B, E, F

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

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12040.710.8733HEM
22190.690.8634HEM
33450.580.7634empty
43200.570.7633empty
5950.420.7817empty

Interfaces

8 interfaces between chains.

  • A–B · 923 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 903 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 533 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 519 Ų buried · 6 hydrogen bonds · protein-protein
  • B–F · 517 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 3ISF · Structure of non-mineralized Bfrb (as-isolated) from Pseudomonas aeruginosa to 2.07A… · the same entry in another collection · chain A against A, TM-score 1.00

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