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MolNFT v1 · #149574 · protein

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

6G4H · Protein-glutamine gamma-glutamyltransferase: “Crystal structure of the periplasmic domain of tgpa from pseudomonas aeruginosa bound to ethylmercury”. X-ray diffraction, 2 ligands (EMC, PO4), 3 pockets (best druggability 0.57).…

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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