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MolNFT v1 · #57966 · protein

Sulfite reductase hemoprotein photoreduced with proflavine edta, siroheme FEII,[4FE-4S] +1, phosphate bound

3AOP: “Sulfite reductase hemoprotein photoreduced with proflavine edta, siroheme FEII,[4FE-4S] +1, phosphate bound”. X-ray diffraction, 4 ligands (SF4, SRM, K), 5 pockets (best druggability 0.74). MolNFT v1 #57966 on GenesisL1: 3D…

PDB
3AOP
Type
protein
Length
453 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sulfite reductase hemoprotein
EC
1.8.1.2
UniProt
P17846
Ligands
SF4, SRM, K, PO4
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASulfite reductase hemoprotein (EC 1.8.1.2)protein45336% helix, 23% strandP17846

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • SRM · Siroheme · ligand · chains A
  • K · Potassium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14420.740.8454PO4, SF4, SRM
2680.430.8121empty
3710.380.7818empty
4660.290.7414empty
5530.280.7514empty

Compared structures

  • 3AOP · Sulfite reductase hemoprotein photoreduced with proflavine edta, siroheme FEII,[4FE-4S]… · the same entry in another collection · chain A against A, TM-score 1.00
  • P17846 · AlphaFold monomer V2.0 prediction for sulfite reductase [NADPH] hemoprotein… · a predicted model of the same protein · chain A against A, TM-score 1.00

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