MolNFT v1 · #72514 · protein
Crystal structure of an alpha subunit of tryptophan synthase from vibrio cholerae O1 biovar el tor str. N16961
3NAV · Tryptophan synthase alpha chain: “Crystal structure of an alpha subunit of tryptophan synthase from vibrio cholerae O1 biovar el tor str. N16961”. X-ray diffraction, 4 pockets (best druggability 0.80). MolNFT v1 #72514 on GenesisL1…
- PDB
- 3NAV
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan synthase alpha chain
- EC
- 4.2.1.20
- UniProt
- C3LLL5
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase alpha chain (EC 4.2.1.20) | protein | 261 | 53% helix, 15% strand | C3LLL5 |
| B | Tryptophan synthase alpha chain (EC 4.2.1.20) | protein | 258 | 51% helix, 14% strand | C3LLL5 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 829 | 0.80 | 0.83 | 97 | EDO |
| 2 | 388 | 0.65 | 0.79 | 51 | empty |
| 3 | 71 | 0.37 | 0.78 | 16 | empty |
| 4 | 57 | 0.26 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 944 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3NAV · Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1… · the same entry in another collection · chain A against A, TM-score 1.00
- C3LLL5 · AlphaFold monomer V2.0 prediction for tryptophan synthase alpha chain (C3LLL5) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 C3LLL5
- Elsewhere: RCSB PDB 3NAV · PDBe 3NAV · UniProt C3LLL5
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