MolNFT v1 · #76682 · protein
Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor ACS174)
3QS8: “Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor ACS174)”. X-ray diffraction, 3 ligands (17D, PRP, MG), 9 pockets (best druggability 0.79). MolNFT v1 #76682 on GenesisL1: 3D…
- PDB
- 3QS8
- Type
- protein
- Length
- 1,384 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate phosphoribosyltransferase
- EC
- 2.4.2.18
- UniProt
- P66992
- Ligands
- 17D, PRP, MG
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 346 | 52% helix, 12% strand | P66992 |
Ligands and binding sites
- 17D · 2-benzylbenzoic acid · ligand · 6 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
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 410 | 0.79 | 0.88 | 53 | PRP, MG, 17D |
| 2 | 376 | 0.79 | 0.89 | 46 | PRP, MG, 17D |
| 3 | 421 | 0.78 | 0.87 | 52 | PRP, MG, 17D |
| 4 | 397 | 0.77 | 0.87 | 47 | PRP, MG, 17D |
| 5 | 58 | 0.40 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- C–D · 38 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3QS8 · 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 3QS8 · PDBe 3QS8 · UniProt P66992
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