MolNFT v1 · #100809 · protein
Alternative substrates of mycobacterium tuberculosis anthranilate phosphoribosyl transferase
4N8Q · Anthranilate phosphoribosyltransferase: “Alternative substrates of mycobacterium tuberculosis anthranilate phosphoribosyl transferase”. X-ray diffraction, 1 ligand (FA0), 4 pockets (best druggability 0.76). MolNFT v1 #100809 on…
- PDB
- 4N8Q
- Type
- protein
- Length
- 691 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate phosphoribosyltransferase
- EC
- 2.4.2.18
- UniProt
- P66992
- Ligands
- FA0
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 346 | 51% helix, 12% strand | P66992 |
| B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 345 | 53% helix, 12% strand | P66992 |
Ligands and binding sites
- FA0 · 2-amino-4-fluorobenzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.76 | 0.82 | 66 | FA0 |
| 2 | 63 | 0.54 | 0.88 | 22 | FA0 |
| 3 | 242 | 0.52 | 0.76 | 39 | empty |
| 4 | 62 | 0.29 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 876 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4N8Q · Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl… · the same entry in another collection · chain A against A, TM-score 1.00
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 P66992
- Elsewhere: RCSB PDB 4N8Q · PDBe 4N8Q · UniProt P66992
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