Research workbench
Crystal structure of ARO7P chorismate mutase from candida albicans, complex with L-TRP
Analyse Crystal structure of ARO7P chorismate mutase from candida albicans, complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RJ1
- Type
- protein
- Length
- 1,054 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate mutase
- EC
- 5.4.99.5
- UniProt
- Q59TS4
- Ligands
- TRP, MG
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chorismate mutase (EC 5.4.99.5) | protein | 265 | 65% helix, 1% strand | Q59TS4 |
| C | Chorismate mutase (EC 5.4.99.5) | protein | 263 | 65% helix, 0% strand | Q59TS4 |
| D | Chorismate mutase (EC 5.4.99.5) | protein | 261 | 65% helix, 0% strand | Q59TS4 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 5 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, C
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1189 | 0.86 | 0.87 | 113 | TRP, MG |
| 2 | 317 | 0.73 | 0.85 | 26 | EDO |
| 3 | 183 | 0.71 | 0.88 | 21 | empty |
| 4 | 144 | 0.69 | 0.89 | 20 | empty |
| 5 | 97 | 0.63 | 0.89 | 22 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1851 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 255 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 98 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 30 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 17 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7RJ1 · Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp · 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 Q59TS4
- Elsewhere: RCSB PDB 7RJ1 · PDBe 7RJ1 · UniProt Q59TS4
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