MolNFT v1 · #142590 · protein
Crystal structure of a cyclase FILC1 from fischerella sp.
6A92 · Acyclase: “Crystal structure of a cyclase FILC1 from fischerella sp.”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.85). MolNFT v1 #142590 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6A92
- Type
- protein
- Length
- 794 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyclase
- UniProt
- A0A1P8VSI6
- Ligands
- CA
- Pockets
- 11 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Acyclase | protein | 199 | 0% helix, 43% strand | A0A1P8VSI6 |
| C, D | Acyclase | protein | 198 | 0% helix, 44% strand | A0A1P8VSI6 |
Ligands and binding sites
- CA · Calcium ion · metal · 8 copies · chains A, B, C, D
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B, D
- PG4 · Tetraethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.85 | 0.91 | 65 | PG4 |
| 2 | 225 | 0.74 | 0.88 | 30 | empty |
| 3 | 195 | 0.69 | 0.86 | 26 | empty |
| 4 | 128 | 0.67 | 0.89 | 26 | empty |
| 5 | 117 | 0.65 | 0.89 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–B · 978 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 907 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 867 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6A92 · Crystal structure of a cyclase Filc1 from Fischerella sp. · 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 A0A1P8VSI6
- Elsewhere: RCSB PDB 6A92 · PDBe 6A92 · UniProt A0A1P8VSI6
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