MolNFT v1 · #21933 · protein
Crystal structure of the chorismate synthase from campylobacter jejuni, northeast structural genomics target BR19
1SQ1: “Crystal structure of the chorismate synthase from campylobacter jejuni, northeast structural genomics target…”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.51). MolNFT v1 #21933 on GenesisL1: 3D structure…
- PDB
- 1SQ1
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate synthase
- EC
- 4.2.3.5
- UniProt
- Q9PM41
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chorismate synthase (EC 4.2.3.5) | protein | 288 | 36% helix, 23% strand | Q9PM41 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.51 | 0.80 | 24 | empty |
| 2 | 59 | 0.37 | 0.79 | 17 | empty |
| 3 | 74 | 0.36 | 0.77 | 20 | empty |
| 4 | 84 | 0.34 | 0.74 | 17 | empty |
Modifications
Observed in the structure: 7 modified (engineered).
Compared structures
- 1SQ1 · Crystal Structure of the Chorismate Synthase from Campylobacter jejuni, Northeast… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9PM41 · AlphaFold monomer V2.0 prediction for chorismate synthase (Q9PM41) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9PM41
- Elsewhere: RCSB PDB 1SQ1 · PDBe 1SQ1 · UniProt Q9PM41
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