Research workbench
Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (anprt; trpd).
Analyse Bianthranilate-like analogue bound in inner site of anthranilate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GIU
- 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
- PRP, 636, MG
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 346 | 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
- 636 · 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A, 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 | 498 | 0.76 | 0.84 | 52 | PRP, MG, 636 |
| 2 | 520 | 0.75 | 0.83 | 53 | PRP, MG, 636 |
| 3 | 63 | 0.38 | 0.80 | 16 | empty |
| 4 | 64 | 0.37 | 0.79 | 17 | GOL |
| 5 | 69 | 0.34 | 0.76 | 16 | DMS |
Interfaces
1 interface between chains.
- A–B · 901 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4GIU · Bianthranilate-like analogue bound in inner site of anthranilate… · 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 4GIU · PDBe 4GIU · UniProt P66992
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