MolNFT v1 · #30830 · protein
Epsp synthase liganded with shikimate and glyphosate
2AAY · 3-phosphoshikimate 1-carboxyvinyltransferase: “Epsp synthase liganded with shikimate and glyphosate”. X-ray diffraction, 2 ligands (SKM, GPJ), 2 pockets (best druggability 0.72). MolNFT v1 #30830 on GenesisL1: 3D structure, binding…
- PDB
- 2AAY
- Type
- protein
- Length
- 427 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-phosphoshikimate 1-carboxyvinyltransferase
- EC
- 2.5.1.19
- UniProt
- P0A6D3
- Ligands
- SKM, GPJ
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) | protein | 427 | 35% helix, 26% strand | P0A6D3 |
Ligands and binding sites
- SKM · (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid · ligand · chains A
- GPJ · Glyphosate · ligand · chains A
- FMT · Formic acid · additive · 9 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.72 | 0.97 | 28 | SKM, GPJ, FMT |
| 2 | 60 | 0.31 | 0.75 | 16 | empty |
Compared structures
- 2AAY · EPSP synthase liganded with shikimate and glyphosate · the same entry in another collection · chain A against A, TM-score 1.00
- P0A6D3 · AlphaFold monomer V2.0 prediction for 3-phosphoshikimate 1-carboxyvinyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0A6D3
- Elsewhere: RCSB PDB 2AAY · PDBe 2AAY · UniProt P0A6D3
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