Research workbench
Structure of yeast chorismate mutase with bound TRP and an endooxabicyclic inhibitor
Analyse Structure of yeast chorismate mutase with bound TRP and an endooxabicyclic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CSM
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate mutase
- EC
- 5.4.99.5
- UniProt
- P32178
- Ligands
- TRP, TSA
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chorismate mutase (EC 5.4.99.5) | protein | 252 | 65% helix, 0% strand | P32178 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 2 copies · chains A, B
- TSA · 8-hydroxy-2-oxa-bicyclo[3.3.1]non-6-ene-3,5-dicarboxylic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.76 | 0.94 | 23 | TSA |
| 2 | 127 | 0.74 | 0.94 | 23 | TSA |
| 3 | 500 | 0.65 | 0.77 | 49 | empty |
| 4 | 249 | 0.54 | 0.77 | 35 | empty |
| 5 | 144 | 0.47 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 518 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3CSM · Structure of yeast chorismate mutase with bound TRP and an endooxabicyclic inhibitor · the same entry in another collection · chain B against B, TM-score 1.00
- P32178 · AlphaFold monomer V2.0 prediction for chorismate mutase (P32178) · 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 P32178
- Elsewhere: RCSB PDB 3CSM · PDBe 3CSM · UniProt P32178
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