MolNFT v1 · #159160 · protein
Crystal structure of green fluorescent protein (GFP); S65T, Y66(3- BR1Y), H148D; circular permutant (50-51)
6OGA: “Crystal structure of green fluorescent protein (GFP); S65T, Y66(3- BR1Y), H148D; circular permutant (50-51)”. X-ray diffraction, 1 ligand (B2C), 8 pockets (best druggability 0.78). MolNFT v1 #159160 on GenesisL1: 3D structure…
- PDB
- 6OGA
- Type
- protein
- Length
- 453 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crystal structure of green fluorescent protein (GFP)
- Ligands
- B2C
- Pockets
- 8 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crystal structure of green fluorescent protein (GFP) | protein | 227 | 11% helix, 51% strand | — |
| B | Crystal structure of green fluorescent protein (GFP) | protein | 226 | 11% helix, 52% strand | — |
Ligands and binding sites
- B2C · {(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(3-bromo-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.78 | 0.97 | 24 | B2C |
| 2 | 95 | 0.76 | 0.97 | 24 | B2C |
| 3 | 373 | 0.56 | 0.75 | 48 | empty |
| 4 | 232 | 0.50 | 0.75 | 30 | empty |
| 5 | 99 | 0.43 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 641 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent (covalent ligand).
Compared structures
- 6OGA · Crystal structure of Green Fluorescent Protein (GFP); S65T, Y66(3-Br1Y), H148D; circular… · 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 6OGA · PDBe 6OGA
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