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MolNFT v1 · #3119 · protein

Pnp oxidase from saccharomyces cerevisiae

1CI0 · Protein (pnp oxidase): “Pnp oxidase from saccharomyces cerevisiae”. X-ray diffraction, 1 ligand (FMN), 5 pockets (best druggability 0.74). MolNFT v1 #3119 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1CI0
Type
protein
Length
409 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (pnp oxidase)
EC
1.4.3.5
UniProt
P38075
Ligands
FMN
Pockets
5 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (pnp oxidase) (EC 1.4.3.5)protein20528% helix, 35% strandP38075
BProtein (pnp oxidase) (EC 1.4.3.5)protein20428% helix, 35% strandP38075

Ligands and binding sites

  • 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15180.740.8243FMN
25290.730.8250FMN
3710.730.9722empty
4560.350.7919empty
5510.290.7612empty

Interfaces

1 interface between chains.

  • A–B · 2493 Ų buried · 46 hydrogen bonds · protein-protein

Compared structures

  • 1CI0 · Pnp oxidase from saccharomyces cerevisiae · the same entry in another collection · chain A against A, TM-score 1.00
  • P38075 · AlphaFold monomer V2.0 prediction for pyridoxamine 5'-phosphate oxidase (P38075) · a predicted model of the same protein · chain B against A, TM-score 0.98

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