MolNFT v1 · #102803 · protein
Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 5-methylanthranilate, prpp and magnesium
4OWU · Anthranilate phosphoribosyltransferase: “Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 5-methylanthranilate…”. X-ray diffraction, 3 ligands (PRP, 5M0, MG), 5 pockets (best druggability…
- PDB
- 4OWU
- Type
- protein
- Length
- 695 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, 5M0, MG
- Pockets
- 5 · best druggability 0.78
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 | 347 | 51% helix, 12% strand | P66992 |
| B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 348 | 53% helix, 12% strand | P66992 |
Ligands and binding sites
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · 2 copies · chains A, B
- 5M0 · 2-azanyl-5-methyl-benzoic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 490 | 0.78 | 0.86 | 53 | MG, PRP, 5M0 |
| 2 | 464 | 0.76 | 0.85 | 51 | MG, PRP, 5M0 |
| 3 | 55 | 0.40 | 0.82 | 18 | empty |
| 4 | 91 | 0.36 | 0.75 | 16 | empty |
| 5 | 82 | 0.32 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 882 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4OWU · Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with… · 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 4OWU · PDBe 4OWU · UniProt P66992
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