MolNFT v1 · #163544 · protein
Structure of the fluorescent protein AAUSFP1 from aequorea cf. australis at pH 7.0
6S67 · Aequorea cf. australis fluorescent protein 1 (AAUSFP1): “Structure of the fluorescent protein AAUSFP1 from aequorea cf. australis at pH 7.0”. X-ray diffraction, 1 ligand (CRO), 8 pockets (best druggability 0.84). MolNFT v1 #163544…
- PDB
- 6S67
- Type
- protein
- Length
- 892 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aequorea cf. australis fluorescent protein 1 (AAUSFP1)
- Ligands
- CRO
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aequorea cf. australis fluorescent protein 1 (AAUSFP1) | protein | 223 | 8% helix, 52% strand | — |
Ligands and binding sites
- CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.84 | 0.85 | 111 | GOL |
| 2 | 92 | 0.78 | 0.98 | 26 | CRO |
| 3 | 92 | 0.77 | 0.98 | 24 | CRO |
| 4 | 93 | 0.77 | 0.98 | 25 | CRO |
| 5 | 92 | 0.77 | 0.98 | 29 | CRO |
Interfaces
6 interfaces between chains.
- A–B · 1291 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1287 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 390 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 381 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 43 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (chromophore).
Compared structures
- 6S67 · Structure of the Fluorescent Protein AausFP1 from Aequorea cf. australis at pH 7.0 · 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
- Elsewhere: RCSB PDB 6S67 · PDBe 6S67
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