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MolNFT v1 · #135178 · protein

Crystal structure of a ferredoxin NADP+ reductase from neisseria gonorrhoeae with bound FAD

5TR9 · Ferredoxin-NADP reductase: “Crystal structure of a ferredoxin NADP+ reductase from neisseria gonorrhoeae with bound FAD”. X-ray diffraction, 4 ligands (FAD, NA, MG), 2 pockets (best druggability 0.74). MolNFT v1 #135178 on…

PDB
5TR9
Type
protein
Length
492 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ferredoxin-NADP reductase
UniProt
A0A0M3GZJ1
Ligands
FAD, NA, MG, CL
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFerredoxin-NADP reductaseprotein24626% helix, 35% strandA0A0M3GZJ1

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains B
  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 28 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 8 copies · chains A, B

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
110300.740.77103FAD, EDO, CL
2510.260.7312empty

Interfaces

1 interface between chains.

  • A–B · 833 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5TR9 · Crystal Structure of a ferredoxin NADP+ reductase from Neisseria gonorrhoeae with bound… · the same entry in another collection · chain A against A, TM-score 1.00

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