MolNFT v1 · #172629 · protein
RSGREEN0.7-K206A-H148S in the green-on state
7A8H · Green fluorescent protein: “RSGREEN0.7-K206A-H148S in the green-on state”. X-ray diffraction, 1 ligand (CRO), 13 pockets (best druggability 0.80). MolNFT v1 #172629 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7A8H
- Type
- protein
- Length
- 907 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Green fluorescent protein
- UniProt
- A0A059PIQ0
- Ligands
- CRO
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 10% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Green fluorescent protein | protein | 224 | 11% helix, 52% strand | A0A059PIQ0 |
| B | Green fluorescent protein | protein | 226 | 11% helix, 52% strand | A0A059PIQ0 |
| C | Green fluorescent protein | protein | 229 | 10% helix, 51% strand | A0A059PIQ0 |
| D | Green fluorescent protein | protein | 228 | 10% helix, 51% strand | A0A059PIQ0 |
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
- EDO · 1,2-ethanediol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1018 | 0.80 | 0.81 | 95 | empty |
| 2 | 116 | 0.78 | 0.97 | 29 | CRO |
| 3 | 123 | 0.78 | 0.96 | 27 | CRO |
| 4 | 124 | 0.78 | 0.96 | 31 | CRO |
| 5 | 115 | 0.77 | 0.96 | 28 | CRO |
Interfaces
5 interfaces between chains.
- A–C · 565 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 482 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 282 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 238 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 37 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 cofactor (chromophore).
Compared structures
- 7A8H · rsGreen0.7-K206A-H148S in the green-on state · 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 A0A059PIQ0
- Elsewhere: RCSB PDB 7A8H · PDBe 7A8H · UniProt A0A059PIQ0
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