MolNFT v1 · #95195 · protein
Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (anprt; trpd) in absence of substrates.
4IJ1: “Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (anprt; trpd) in absence of…”. X-ray diffraction, 1 ligand (17C), 2 pockets (best druggability 0.69). MolNFT v1 #95195 on GenesisL1: 3D structure, binding…
- PDB
- 4IJ1
- Type
- protein
- Length
- 670 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
- 17C
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 334 | 54% helix, 12% strand | P66992 |
| B | Anthranilate phosphoribosyltransferase (EC 2.4.2.18) | protein | 336 | 55% helix, 12% strand | P66992 |
Ligands and binding sites
- 17C · 2,2'-iminodibenzoic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.69 | 0.81 | 41 | 17C |
| 2 | 439 | 0.68 | 0.80 | 42 | 17C, GOL |
Interfaces
1 interface between chains.
- A–B · 831 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4IJ1 · Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT… · 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 4IJ1 · PDBe 4IJ1 · UniProt P66992
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