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MolNFT v1 · #63964 · protein

Crystal structure of ferredoxin-NADP reductase from salmonella typhimurium

3FPK: “Crystal structure of ferredoxin-NADP reductase from salmonella typhimurium”. X-ray diffraction, 3 ligands (FAD, MG, CA), 7 pockets (best druggability 0.66). MolNFT v1 #63964 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3FPK
Type
protein
Length
494 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferredoxin-NADP reductase
EC
1.18.1.2
UniProt
Q8ZKP5
Ligands
FAD, MG, CA
Pockets
7 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFerredoxin-NADP reductase (EC 1.18.1.2)protein24725% helix, 34% strandQ8ZKP5

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • CA · Calcium ion · metal · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1990.660.9028empty
23240.630.7944FAD
33350.600.7742FAD
41170.400.7623empty
5720.380.7816MG

Interfaces

1 interface between chains.

  • A–B · 1045 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 3FPK · Crystal Structure of Ferredoxin-NADP Reductase from Salmonella typhimurium · the same entry in another collection · chain A against A, TM-score 1.00

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