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MolNFT v1 · #183506 · protein

Triphosphate tunnel metalloenzyme from sulfolobus acidocaldarius in complex with triphosphate and magnesium

7NSF · Triphosphate tunnel metalloenzyme SACI_0718: “Triphosphate tunnel metalloenzyme from sulfolobus acidocaldarius in complex with triphosphate and magnesium”. X-ray diffraction, 2 ligands (3PO, MG), 1 pocket (best druggability 0.61).…

PDB
7NSF
Type
protein
Length
177 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Triphosphate tunnel metalloenzyme SACI_0718
UniProt
Q4JAT2
Ligands
3PO, MG
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATriphosphate tunnel metalloenzyme SACI_0718protein17726% helix, 51% strandQ4JAT2

Ligands and binding sites

  • 3PO · Triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.610.82473PO, MG

Compared structures

  • 7NSF · Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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