Research workbench
Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in complex with 5-fluoroanthranilate, prpp and magnesium
Analyse Anthranilate phosphoribosyl transferase from mycobacterium tuberculosis in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4OWN
- Type
- protein
- Length
- 691 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
- 5RG, POP, PRP, MG
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 344 | 53% helix, 13% strand | P66992 |
| B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 347 | 52% helix, 12% strand | P66992 |
Ligands and binding sites
- 5RG · 2-amino-5-fluorobenzoic acid · ligand · 4 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · chains A
- PRP · 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose · ligand · chains B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains 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 | 498 | 0.73 | 0.82 | 47 | MG, PRP, 5RG |
| 2 | 539 | 0.72 | 0.81 | 52 | MG, POP, 5RG |
| 3 | 60 | 0.43 | 0.82 | 16 | empty |
| 4 | 79 | 0.34 | 0.75 | 14 | empty |
| 5 | 52 | 0.27 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 877 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4OWN · Anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis in complex with… · the same entry in another collection · chain B against B, 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 4OWN · PDBe 4OWN · UniProt P66992
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