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MolNFT v1 · #84554 · protein

Crystal structure of FMN-binding protein (NP_142786.1) from pyrococcus horikoshii with bound P-hydroxybenzaldehyde

3ZOC: “Crystal structure of FMN-binding protein (NP_142786.1) from pyrococcus horikoshii with bound…”. X-ray diffraction, 2 ligands (FMN, HBA), 2 pockets (best druggability 0.64). MolNFT v1 #84554 on GenesisL1: 3D structure, binding sites…

PDB
3ZOC
Type
protein
Length
176 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FMN-binding protein
UniProt
O58586
Ligands
FMN, HBA
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFMN-binding proteinprotein17623% helix, 39% strandO58586

Ligands and binding sites

  • FMN · Flavin mononucleotide · ligand · chains A
  • HBA · P-hydroxybenzaldehyde · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12210.640.8331FMN, HBA
21450.460.7618empty

Compared structures

  • 3ZOC · Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with… · the same entry in another collection · chain A against A, TM-score 1.00
  • O58586 · AlphaFold monomer V2.0 prediction for uncharacterized protein PH0856 (O58586) · a predicted model of the same protein · chain A against A, TM-score 0.97

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