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Crystal structure of the periplasmic domain of tgpa from pseudomonas aeruginosa bound to ethylmercury

Analyse Crystal structure of the periplasmic domain of tgpa from pseudomonas aeruginosa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6G4H
Type
protein
Length
278 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein-glutamine gamma-glutamyltransferase
EC
2.3.2.13
UniProt
Q9HZX3
Ligands
EMC, PO4
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein-glutamine gamma-glutamyltransferase (EC 2.3.2.13)protein27828% helix, 31% strandQ9HZX3

Ligands and binding sites

  • EMC · Ethyl mercury ion · ligand · chains A
  • PO4 · Phosphate ion · ion · 4 copies · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.570.8423empty
22160.530.7726empty
31170.500.8118PO4, EMC

Compared structures

  • 6G4H · Crystal structure of the periplasmic domain of TgpA from Pseudomonas aeruginosa bound to… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HZX3 · AlphaFold monomer V2.0 prediction for protein-glutamine gamma- glutamyltransferase… · a predicted model of the same protein · chain A against A, TM-score 1.00

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