Research workbench
Chorismate mutase from clostridium thermocellum cth-682
Analyse Chorismate mutase from clostridium thermocellum cth-682 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XHO
- Type
- protein
- Length
- 337 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate mutase
- Ligands
- UNX
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chorismate mutase | protein | 112 | 31% helix, 29% strand | — |
| C | Chorismate mutase | protein | 113 | 30% helix, 30% strand | — |
Ligands and binding sites
- UNX · Unknown atom or ion · ion · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.56 | 0.79 | 24 | UNX |
| 2 | 193 | 0.51 | 0.77 | 21 | empty |
| 3 | 143 | 0.50 | 0.79 | 28 | empty |
| 4 | 102 | 0.45 | 0.79 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 966 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 902 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 883 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 19 modified (engineered).
Compared structures
- 1XHO · Chorismate mutase from Clostridium thermocellum Cth-682 · 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 1XHO · PDBe 1XHO
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