MolNFT v1 · #115864 · protein
Structure of anthranilate synthase component I (trpe) from mycobacterium tuberculosis with inhibitor bound
5CWA · Anthranilate synthase component 1: “Structure of anthranilate synthase component I (trpe) from mycobacterium tuberculosis with inhibitor bound”. X-ray diffraction, 3 ligands (0GA, UNL, SO4), 7 pockets (best druggability 0.78).…
- PDB
- 5CWA
- Type
- protein
- Length
- 505 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anthranilate synthase component 1
- EC
- 4.1.3.27
- UniProt
- P9WFX2
- Ligands
- 0GA, UNL, SO4
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anthranilate synthase component 1 (EC 4.1.3.27) | protein | 505 | 32% helix, 30% strand | P9WFX2 |
Ligands and binding sites
- 0GA · 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid · ligand · chains A
- UNL · Unknown ligand · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 654 | 0.78 | 0.84 | 64 | SO4, 0GA |
| 2 | 305 | 0.62 | 0.80 | 49 | UNL |
| 3 | 197 | 0.52 | 0.77 | 31 | empty |
| 4 | 103 | 0.44 | 0.78 | 22 | empty |
| 5 | 110 | 0.36 | 0.74 | 25 | empty |
Compared structures
- 5CWA · Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WFX2 · AlphaFold monomer V2.0 prediction for anthranilate synthase component 1 (P9WFX2) · a predicted model of the same protein · 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 P9WFX2
- Elsewhere: RCSB PDB 5CWA · PDBe 5CWA · UniProt P9WFX2
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