MolNFT v1 · #80261 · protein
Structure of a shikimate kinase (arok) from coxiella burnetii
3TRF: “Structure of a shikimate kinase (arok) from coxiella burnetii”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.49). MolNFT v1 #80261 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3TRF
- Type
- protein
- Length
- 338 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Shikimate kinase
- EC
- 2.7.1.71
- UniProt
- Q83AJ3
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Shikimate kinase (EC 2.7.1.71) | protein | 170 | 59% helix, 13% strand | Q83AJ3 |
| B | Shikimate kinase (EC 2.7.1.71) | protein | 168 | 60% helix, 13% strand | Q83AJ3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.49 | 0.75 | 31 | SO4 |
| 2 | 189 | 0.47 | 0.75 | 26 | SO4 |
| 3 | 224 | 0.46 | 0.74 | 27 | empty |
| 4 | 72 | 0.42 | 0.80 | 12 | empty |
| 5 | 60 | 0.37 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 506 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
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 Q83AJ3
- Elsewhere: RCSB PDB 3TRF · PDBe 3TRF · UniProt Q83AJ3
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