Research workbench
Crystal structure of tryptophan synthase from chlamydia trachomatis D/UW-3/CX
Analyse Crystal structure of tryptophan synthase from chlamydia trachomatis D/UW-3/CX in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6V82
- Type
- protein
- Length
- 636 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase alpha chain; Tryptophan synthase beta chain
- EC
- 4.2.1.20
- UniProt
- O84173, O84172
- Ligands
- GLC, FRU, SO4
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase alpha chain (EC 4.2.1.20) | protein | 245 | 46% helix, 16% strand | O84173 |
| B | Tryptophan synthase beta chain (EC 4.2.1.20) | protein | 391 | 50% helix, 17% strand | O84172 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains B
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 898 | 0.80 | 0.83 | 92 | SO4 |
| 2 | 207 | 0.56 | 0.79 | 25 | empty |
| 3 | 183 | 0.54 | 0.79 | 30 | empty |
| 4 | 96 | 0.43 | 0.78 | 15 | empty |
| 5 | 70 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1399 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (cofactor).
Compared structures
- 6V82 · Crystal structure of tryptophan synthase from Chlamydia trachomatis D/UW-3/CX · the same entry in another collection · chain A against A, TM-score 1.00
- O84172 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain (O84172) · a predicted model of the same protein · chain B against A, TM-score 0.99
- O84173 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (O84173) · 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 O84173
- Every structure of UniProt O84172
- Elsewhere: RCSB PDB 6V82 · PDBe 6V82 · UniProt O84173 · UniProt O84172
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