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MolNFT v1 · #114175 · protein

Sulfur transferase ttua in complex with iron sulfur cluster

5B4F: “Sulfur transferase ttua in complex with iron sulfur cluster”. X-ray diffraction, 3 ligands (SF4, ZN, SO4), 2 pockets (best druggability 0.75). MolNFT v1 #114175 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5B4F
Type
protein
Length
294 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sulfur transferase ttua
UniProt
Q72LF3
Ligands
SF4, ZN, SO4
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASulfur transferase ttuaprotein29450% helix, 13% strandQ72LF3

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · 6 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
110810.750.7872SO4, SF4
21710.490.7725SO4

Compared structures

  • 5B4F · Sulfur Transferase TtuA in complex with iron sulfur cluster · the same entry in another collection · chain A against A, TM-score 1.00
  • Q72LF3 · AlphaFold monomer V2.0 prediction for tRNA-5-METHYLURIDINE(54) 2-sulfurtransferase… · a predicted model of the same protein · chain A against A, TM-score 0.98

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