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Htxb D206N protein variant from pseudomonas stutzeri in a partially open conformation to 1.53 a resolution

Analyse Htxb D206N protein variant from pseudomonas stutzeri in a partially open… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GHQ
Type
protein
Length
267 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable phosphite transport system-binding protein htxb
UniProt
O69061
Ligands
SO4
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable phosphite transport system-binding protein htxbprotein26742% helix, 25% strandO69061

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A
  • FMT · Formic acid · additive · chains A
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 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
13220.610.7834FMT, SO4

Compared structures

  • 6GHQ · HtxB D206N protein variant from Pseudomonas stutzeri in a partially open conformation to… · the same entry in another collection · chain A against A, TM-score 1.00
  • O69061 · AlphaFold monomer V2.0 prediction for probable phosphite transport system-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.80

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