MolNFT v1 · #188095 · protein
Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (epsps) domain of ARO1 from candida albicans in complex with shikimate-3-phosphate
7TBU · 5-enolpyruvylshikimate-3-phosphate synthase: “Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (epsps) domain of ARO1 from candida…”. X-ray diffraction, 1 ligand (S3P), 6 pockets (best druggability 0.73).…
- PDB
- 7TBU
- Type
- protein
- Length
- 885 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-enolpyruvylshikimate-3-phosphate synthase
- Ligands
- S3P
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-enolpyruvylshikimate-3-phosphate synthase | protein | 450 | 33% helix, 23% strand | — |
| B | 5-enolpyruvylshikimate-3-phosphate synthase | protein | 435 | 34% helix, 22% strand | — |
Ligands and binding sites
- S3P · Shikimate-3-phosphate · ligand · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 579 | 0.73 | 0.81 | 60 | empty |
| 2 | 578 | 0.69 | 0.79 | 62 | TRS, S3P |
| 3 | 323 | 0.68 | 0.82 | 44 | TRS, S3P |
| 4 | 84 | 0.45 | 0.81 | 11 | empty |
| 5 | 69 | 0.43 | 0.81 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 698 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7TBU · Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (EPSPS) domain of… · 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
- Elsewhere: RCSB PDB 7TBU · PDBe 7TBU
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.