MolNFT v1 · #81545 · protein
Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor ACS142)
3UU1: “Anthranilate phosphoribosyltransferase (trpd) from mycobacterium tuberculosis (complex with inhibitor ACS142)”. X-ray diffraction, 3 ligands (14B, PRP, MG), 4 pockets (best druggability 0.73). MolNFT v1 #81545 on GenesisL1: 3D…
- PDB
- 3UU1
- Type
- protein
- Length
- 1,354 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
- 14B, PRP, MG
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 54% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 338 | 54% helix, 13% strand | P66992 |
| B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 339 | 54% helix, 13% strand | P66992 |
| C | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 339 | 54% helix, 13% strand | P66992 |
Ligands and binding sites
- 14B · 2-amino-3,5-dimethylbenzoic 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
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 455 | 0.73 | 0.83 | 47 | PRP, MG, 14B |
| 2 | 468 | 0.71 | 0.81 | 51 | PRP, 14B, MG |
| 3 | 429 | 0.69 | 0.81 | 44 | PRP, MG, 14B |
| 4 | 432 | 0.69 | 0.81 | 45 | PRP, MG, 14B |
Compared structures
- 3UU1 · 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 3UU1 · PDBe 3UU1 · UniProt P66992
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