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MolNFT v1 · #27945 · protein

Low temperature (100K) crystal structure of flavodoxin mutant S64C, homodimer, oxidised state

1XYY: “Low temperature (100K) crystal structure of flavodoxin mutant S64C, homodimer, oxidised state”. X-ray diffraction, 1 ligand (FMN), 1 pocket (best druggability 0.45). MolNFT v1 #27945 on GenesisL1: 3D structure, binding sites and…

PDB
1XYY
Type
protein
Length
147 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Flavodoxin
UniProt
P00323
Ligands
FMN
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFlavodoxinprotein14737% helix, 25% strandP00323

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.450.7924FMN

Compared structures

  • 1XYY · Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, homodimer, oxidised… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00323 · AlphaFold monomer V2.0 prediction for flavodoxin (P00323) · a predicted model of the same protein · chain A against A, TM-score 0.99

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