MolNFT v1 · #180914 · protein
The aminoacrylate form of the wild-type salmonella typhimurium tryptophan synthase in complex with ammonium ion at the metal coordination site at 1.70 ångström resolution
7LEV · Tryptophan synthase alpha chain: “The aminoacrylate form of the wild-type salmonella typhimurium tryptophan synthase in complex with ammonium…”. X-ray diffraction, 3 ligands (0JO, CL, NH4), 5 pockets (best druggability 0.80). MolNFT…
- PDB
- 7LEV
- Type
- protein
- Length
- 626 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
- A0A0D6FWC1, P0A2K1
- Ligands
- 0JO, CL, NH4
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan synthase alpha chain (EC 4.2.1.20) | protein | 249 | 51% helix, 14% strand | A0A0D6FWC1 |
| B | Tryptophan synthase beta chain (EC 4.2.1.20) | protein | 377 | 46% helix, 21% strand | P0A2K1 |
Ligands and binding sites
- 0JO · 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid · ligand · chains B
- CL · Chloride ion · ion · 5 copies · chains A, B
- NH4 · Ammonium ion · ion · chains B
- DMS · Dimethyl sulfoxide · additive · 8 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.80 | 0.93 | 47 | 0JO |
| 2 | 390 | 0.72 | 0.83 | 55 | DMS |
| 3 | 78 | 0.38 | 0.77 | 14 | EDO |
| 4 | 64 | 0.31 | 0.75 | 16 | CL |
| 5 | 60 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1088 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 7LEV · The aminoacrylate form of the wild-type Salmonella typhimurium Tryptophan Synthase in… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A2K1 · AlphaFold monomer V2.0 prediction for tryptophan synthase beta chain (P0A2K1) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 A0A0D6FWC1
- Every structure of UniProt P0A2K1
- Elsewhere: RCSB PDB 7LEV · PDBe 7LEV · UniProt A0A0D6FWC1 · UniProt P0A2K1
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