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MolNFT v1 · #155005 · protein

The wildtype structure of eanb

6KTX · Sulfurtransferase: “The wildtype structure of eanb”. X-ray diffraction, 2 ligands (MG, CL), 4 pockets (best druggability 0.51). MolNFT v1 #155005 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6KTX
Type
protein
Length
431 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sulfurtransferase
UniProt
B3ECE3
Ligands
MG, CL
Pockets
4 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASulfurtransferaseprotein43133% helix, 17% strandB3ECE3

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · 3 copies · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
  • PGE · Triethylene glycol · additive · 2 copies · chains A
  • MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.510.7825empty
21400.490.7925EDO
3680.390.7916CL
4620.290.7419EDO

Compared structures

  • 6KTX · The wildtype structure of EanB · the same entry in another collection · chain A against A, TM-score 1.00

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