Research workbench
Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor tamu-A7)
Analyse Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QSA
- Type
- protein
- Length
- 694 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
- PRP, TA7, MG
- Pockets
- 6 · best druggability 0.77
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 | 348 | 52% helix, 12% strand | P66992 |
Ligands and binding sites
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 2 copies · chains A, B
- TA7 · 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 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 | 444 | 0.77 | 0.86 | 49 | PRP, MG, TA7 |
| 2 | 423 | 0.76 | 0.86 | 50 | PRP, MG, TA7 |
| 3 | 81 | 0.48 | 0.83 | 20 | empty |
| 4 | 93 | 0.41 | 0.78 | 20 | empty |
| 5 | 92 | 0.36 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 877 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3QSA · Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex… · 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 3QSA · PDBe 3QSA · UniProt P66992
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