MolNFT v1 · #111734 · protein
Crystal structure of the indole prenyltransferase tlec complexed with indolactam V and dmspp
4YZL · Tryptophan dimethylallyltransferase: “Crystal structure of the indole prenyltransferase tlec complexed with indolactam V and dmspp”. X-ray diffraction, 2 ligands (ILV, DST), 5 pockets (best druggability 0.82). MolNFT v1 #111734 on…
- PDB
- 4YZL
- Type
- protein
- Length
- 361 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan dimethylallyltransferase
- UniProt
- A0A077K887
- Ligands
- ILV, DST
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan dimethylallyltransferase | protein | 361 | 35% helix, 20% strand | A0A077K887 |
Ligands and binding sites
- ILV · (2S,5S)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one · ligand · chains A
- DST · Dimethylallyl S-thiolodiphosphate · ligand · chains A
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 | 522 | 0.82 | 0.88 | 54 | ILV, DST |
| 2 | 102 | 0.53 | 0.83 | 25 | empty |
| 3 | 163 | 0.51 | 0.78 | 23 | empty |
| 4 | 71 | 0.46 | 0.82 | 18 | empty |
| 5 | 50 | 0.32 | 0.78 | 14 | empty |
Compared structures
- 4YZL · Crystal structure of the indole prenyltransferase TleC complexed with indolactam V and… · 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 A0A077K887
- Elsewhere: RCSB PDB 4YZL · PDBe 4YZL · UniProt A0A077K887
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