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MolNFT v1 · #84557 · protein

Crystal structure of FMN-binding protein (YP_005476) from thermus thermophilus with bound benzene-1,4-diol

3ZOF · Flavoredoxin: “Crystal structure of FMN-binding protein (YP_005476) from thermus thermophilus with bound benzene-1,4-diol”. X-ray diffraction, 2 ligands (HQE, FMN), 3 pockets (best druggability 0.77). MolNFT v1 #84557 on GenesisL1…

PDB
3ZOF
Type
protein
Length
356 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavoredoxin
UniProt
Q72HI0
Ligands
HQE, FMN
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFlavoredoxinprotein17813% helix, 46% strandQ72HI0

Ligands and binding sites

  • HQE · benzene-1,4-diol · ligand · 2 copies · chains A, B
  • FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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
1830.770.9921empty
23010.610.7940HQE, FMN
32820.600.7938HQE, FMN

Interfaces

1 interface between chains.

  • A–B · 3834 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

  • 3ZOF · Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound… · the same entry in another collection · chain A against A, TM-score 1.00

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