MolNFT v1 · #142597 · protein
Crystal structure of a stig cyclases fisc from fischerella sp. tau in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
6A99 · Aromatic prenyltransferase: “Crystal structure of a stig cyclases fisc from fischerella sp. tau in complex with…”. X-ray diffraction, 3 ligands (9UL, CA, MG), 10 pockets (best druggability 0.75). MolNFT v1 #142597 on GenesisL1: 3D…
- PDB
- 6A99
- Type
- protein
- Length
- 798 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic prenyltransferase
- UniProt
- A0A1P8VSL7
- Ligands
- 9UL, CA, MG
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Aromatic prenyltransferase | protein | 200 | 0% helix, 44% strand | A0A1P8VSL7 |
| D | Aromatic prenyltransferase | protein | 198 | 0% helix, 44% strand | A0A1P8VSL7 |
Ligands and binding sites
- 9UL · (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole · ligand · 5 copies · chains A, B, C
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.75 | 0.89 | 26 | 9UL |
| 2 | 236 | 0.75 | 0.89 | 27 | 9UL |
| 3 | 269 | 0.75 | 0.88 | 32 | empty |
| 4 | 253 | 0.74 | 0.88 | 28 | 9UL |
| 5 | 1068 | 0.73 | 0.76 | 81 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1055 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 287 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 138 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 136 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 107 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6A99 · Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with… · 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 A0A1P8VSL7
- Elsewhere: RCSB PDB 6A99 · PDBe 6A99 · UniProt A0A1P8VSL7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.