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Anthranilate phosphoribosyltransferase in complex with pyrophosphate and magnesium

Analyse Anthranilate phosphoribosyltransferase in complex with pyrophosphate and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1GXB
Type
protein
Length
1,364 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anthranilate phosphoribosyltransferase
EC
2.4.2.18
UniProt
P50384
Ligands
POP, MG
Pockets
7 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnthranilate phosphoribosyltransferase (EC 2.4.2.18)protein33954% helix, 14% strandP50384
BAnthranilate phosphoribosyltransferase (EC 2.4.2.18)protein33954% helix, 14% strandP50384
CAnthranilate phosphoribosyltransferase (EC 2.4.2.18)protein34154% helix, 13% strandP50384
DAnthranilate phosphoribosyltransferase (EC 2.4.2.18)protein34554% helix, 14% strandP50384

Ligands and binding sites

  • POP · Pyrophosphate 2- · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 3 copies · chains A, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16460.760.8253POP
27030.750.8153MG, POP
35960.750.8250POP
46910.750.8148MG, POP
5770.410.7920empty

Interfaces

2 interfaces between chains.

  • B–C · 142 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 109 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1GXB · Anthranilate phosphoribosyltransferase in complex with pyrophosphate and magnesium · the same entry in another collection · chain D against D, TM-score 1.00
  • P50384 · AlphaFold monomer V2.0 prediction for anthranilate phosphoribosyltransferase (P50384) · a predicted model of the same protein · chain A against A, TM-score 0.99

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