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MolNFT v1 · #62740 · protein

Fmo protein from prosthecochloris aestuarii 2K at 1.3A resolution

3EOJ · Bacteriochlorophyll a protein: “Fmo protein from prosthecochloris aestuarii 2K at 1.3A resolution”. X-ray diffraction, 3 ligands (BCL, NA, NH4), 3 pockets (best druggability 0.81). MolNFT v1 #62740 on GenesisL1: 3D structure…

PDB
3EOJ
Type
protein
Length
358 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriochlorophyll a protein
UniProt
P11741
Ligands
BCL, NA, NH4
Pockets
3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriochlorophyll a proteinprotein35818% helix, 48% strandP11741

Ligands and binding sites

  • BCL · Bacteriochlorophyll A · ligand · 8 copies · chains A
  • NA · Sodium ion · metal · chains A
  • NH4 · Ammonium ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 15 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110830.810.82105BCL
22410.670.8322BCL
32310.540.7732EDO

Modifications

Observed in the structure: 3 covalent (covalent ligand, additive adduct).

Compared structures

  • 3EOJ · Fmo protein from Prosthecochloris Aestuarii 2K AT 1.3A Resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P11741 · AlphaFold monomer V2.0 prediction for bacteriochlorophyll a protein (P11741) · a predicted model of the same protein · chain A against A, TM-score 0.99

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