MolNFT v1 · #80247 · protein
Structure of a 3-phosphoshikimate 1-carboxyvinyltransferase (aroa) from coxiella burnetii
3TR1: “Structure of a 3-phosphoshikimate 1-carboxyvinyltransferase (aroa) from coxiella burnetii”. X-ray diffraction, 2 ligands (K, PO4), 3 pockets (best druggability 0.71). MolNFT v1 #80247 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3TR1
- Type
- protein
- Length
- 436 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
- Q83E11
- Ligands
- K, PO4
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) | protein | 436 | 36% helix, 28% strand | Q83E11 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.71 | 0.86 | 44 | PO4 |
| 2 | 108 | 0.38 | 0.75 | 24 | empty |
| 3 | 59 | 0.29 | 0.74 | 14 | empty |
Modifications
Observed in the structure: 13 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 3TR1 · Structure of a 3-phosphoshikimate 1-carboxyvinyltransferase (aroA) from Coxiella burnetii · the same entry in another collection · chain A against A, TM-score 1.00
- Q83E11 · 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 Q83E11
- Elsewhere: RCSB PDB 3TR1 · PDBe 3TR1 · UniProt Q83E11
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