MolNFT v1 · #77158 · protein
Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor ACS179)
3R6C: “Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor ACS179)”. X-ray diffraction, 3 ligands (17N, PRP, MG), 6 pockets (best druggability 0.78). MolNFT v1 #77158 on GenesisL1: 3D…
- PDB
- 3R6C
- Type
- protein
- Length
- 692 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
- 17N, PRP, MG
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 346 | 52% helix, 12% strand | P66992 |
Ligands and binding sites
- 17N · 8-methoxyphenanthro[3,4-d][1,3]dioxole-5,6-dicarboxylic acid · ligand · 3 copies · chains A, B
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · chains 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 | 436 | 0.78 | 0.87 | 52 | PRP, MG |
| 2 | 391 | 0.77 | 0.87 | 51 | PRP, MG, 17N |
| 3 | 101 | 0.40 | 0.77 | 25 | 17N |
| 4 | 66 | 0.37 | 0.79 | 18 | 17N |
| 5 | 70 | 0.33 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 880 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3R6C · 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 3R6C · PDBe 3R6C · UniProt P66992
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