MolNFT v1 · #142596 · protein
Crystal structure of a cyclase from fischerella sp. tau
6A98 · Aromatic prenyltransferase: “Crystal structure of a cyclase from fischerella sp. tau”. X-ray diffraction, 1 ligand (CA), 13 pockets (best druggability 0.75). MolNFT v1 #142596 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6A98
- Type
- protein
- Length
- 802 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aromatic prenyltransferase
- UniProt
- A0A1P8VSL7
- Ligands
- CA
- Pockets
- 13 · 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 | 201 | 0% helix, 44% strand | A0A1P8VSL7 |
| D | Aromatic prenyltransferase | protein | 199 | 0% helix, 44% strand | A0A1P8VSL7 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
- BOG · octyl beta-D-glucopyranoside · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 381 | 0.75 | 0.85 | 32 | empty |
| 2 | 148 | 0.74 | 0.92 | 28 | empty |
| 3 | 131 | 0.74 | 0.93 | 27 | empty |
| 4 | 303 | 0.73 | 0.85 | 32 | empty |
| 5 | 131 | 0.72 | 0.92 | 26 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1075 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1033 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 195 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6A98 · Crystal structure of a cyclase from Fischerella sp. TAU · 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 6A98 · PDBe 6A98 · UniProt A0A1P8VSL7
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