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Anthranilate phosphoribosyltransferase in complex with prpp, anthranilate and magnesium

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

PDB
1ZYK
Type
protein
Length
1,375 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
BE2, PRP, MG
Pockets
7 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, DAnthranilate phosphoribosyltransferase (EC 2.4.2.18)protein34453% helix, 13% strandP50384
CAnthranilate phosphoribosyltransferase (EC 2.4.2.18)protein34353% helix, 13% strandP50384

Ligands and binding sites

  • BE2 · 2-aminobenzoic acid · ligand · 8 copies · chains A, B, C, D
  • PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 8 copies · chains A, B, 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
16710.790.8462MG, PRP, BE2
26130.770.8355MG, PRP, BE2
36140.760.8349MG, PRP, BE2
46150.760.8256MG, PRP, BE2
5510.320.7814empty

Interfaces

2 interfaces between chains.

  • B–C · 958 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 936 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 1ZYK · Anthranilate Phosphoribosyltransferase in complex with PRPP, anthranilate and magnesium · the same entry in another collection · chain A against A, 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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