Research workbench
The 2.07 ångström crystal structure of mycobacterium tuberculosis chorismate mutase reveals unexpected gene duplication and suggests a role in host-pathogen interactions
Analyse The 2.07 ångström crystal structure of mycobacterium tuberculosis chorismate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AO2
- Type
- protein
- Length
- 495 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate mutase
- EC
- 5.4.99.5
- UniProt
- O07746
- Ligands
- TRP, SO4
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Chorismate mutase (EC 5.4.99.5) | protein | 165 | 76% helix, 0% strand | O07746 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 2 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.71 | 0.87 | 28 | SO4 |
| 2 | 221 | 0.68 | 0.85 | 29 | SO4 |
| 3 | 287 | 0.67 | 0.82 | 29 | SO4 |
| 4 | 196 | 0.56 | 0.80 | 30 | empty |
| 5 | 152 | 0.48 | 0.77 | 23 | TRP |
Interfaces
2 interfaces between chains.
- B–C · 808 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 644 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2AO2 · The 2.07 Angstrom crystal structure of Mycobacterium tuberculosis chorismate mutase… · 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
- Every structure of UniProt O07746
- Elsewhere: RCSB PDB 2AO2 · PDBe 2AO2 · UniProt O07746
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.