MolNFT v1 · #151634 · protein
Tryptophan lyase 'empty state'
6HTO · 3-methyl-2-indolic acid synthase: “Tryptophan lyase 'empty state'”. X-ray diffraction, 4 ligands (SF4, MET, 5AD), 5 pockets (best druggability 0.86). MolNFT v1 #151634 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HTO
- Type
- protein
- Length
- 759 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-methyl-2-indolic acid synthase
- UniProt
- C6FX51
- Ligands
- SF4, MET, 5AD, CL
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-methyl-2-indolic acid synthase | protein | 380 | 40% helix, 12% strand | C6FX51 |
| B | 3-methyl-2-indolic acid synthase | protein | 379 | 40% helix, 13% strand | C6FX51 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- MET · Methionine · ligand · 2 copies · chains A, B
- 5AD · 5'-deoxyadenosine · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 11 copies · chains A, B
- GOL · Glycerol · 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 | 281 | 0.86 | 0.97 | 47 | SF4, MET, 5AD, CL |
| 2 | 290 | 0.86 | 0.96 | 52 | SF4, MET, 5AD, CL |
| 3 | 54 | 0.33 | 0.78 | 14 | GOL |
| 4 | 59 | 0.32 | 0.77 | 16 | GOL |
| 5 | 81 | 0.30 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1095 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6HTO · Tryptophan lyase 'empty state' · 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 C6FX51
- Elsewhere: RCSB PDB 6HTO · PDBe 6HTO · UniProt C6FX51
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