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MolNFT v1 · #109813 · protein

Crystal structure of treponema pallidum TP0796 flavin trafficking protein, a bifunctional FMN TRANSFERASE/FAD pyrophosphatase, N55Y mutant, FAD bound form

4XDT · FAD:PROTEIN FMN transferase: “Crystal structure of treponema pallidum TP0796 flavin trafficking protein, a bifunctional FMN TRANSFERASE/FAD…”. X-ray diffraction, 3 ligands (FAD, MG, NA), 2 pockets (best druggability 0.76). MolNFT v1…

PDB
4XDT
Type
protein
Length
330 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FAD:PROTEIN FMN transferase
EC
2.7.1.180
UniProt
O83774
Ligands
FAD, MG, NA
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFAD:PROTEIN FMN transferase (EC 2.7.1.180)protein33034% helix, 29% strandO83774

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A
  • ACT · Acetate ion · additive · 4 copies · 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
16370.760.8273FAD, MG, ACT
2530.290.7513empty

Compared structures

  • 4XDT · Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, a bifunctional… · the same entry in another collection · chain A against A, TM-score 1.00

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