MolNFT v1 · #109529 · protein
Anthranilate phosphoribosyltransferase variant R194A from mycobacterium tuberculosis with pyrophosphate, MG2+ and anthranilate bound
4X5E: “Anthranilate phosphoribosyltransferase variant R194A from mycobacterium tuberculosis with pyrophosphate, MG2+…”. X-ray diffraction, 3 ligands (BE2, POP, MG), 6 pockets (best druggability 0.71). MolNFT v1 #109529 on GenesisL1: 3D…
- PDB
- 4X5E
- Type
- protein
- Length
- 688 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate phosphoribosyltransferase
- EC
- 2.4.2.18
- UniProt
- A5U4M0
- Ligands
- BE2, POP, MG
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 345 | 52% helix, 12% strand | A5U4M0 |
| B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 343 | 53% helix, 13% strand | A5U4M0 |
Ligands and binding sites
- BE2 · 2-aminobenzoic acid · ligand · 4 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 445 | 0.71 | 0.82 | 46 | POP, MG, BE2 |
| 2 | 483 | 0.70 | 0.81 | 50 | POP, MG, BE2 |
| 3 | 51 | 0.40 | 0.82 | 16 | empty |
| 4 | 64 | 0.37 | 0.79 | 16 | GOL |
| 5 | 66 | 0.31 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 860 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4X5E · Anthranilate phosphoribosyltransferase variant R194A from Mycobacterium tuberculosis with… · the same entry in another collection · chain A against A, TM-score 1.00
- A5U4M0 · AlphaFold monomer V2.0 prediction for anthranilate phosphoribosyltransferase (A5U4M0) · a predicted model of the same protein · chain B against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A5U4M0
- Elsewhere: RCSB PDB 4X5E · PDBe 4X5E · UniProt A5U4M0
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