MolNFT v1 · #86319 · protein
Structure of the mutant V44A of the fluorescent protein killerred
4B30: “Structure of the mutant V44A of the fluorescent protein killerred”. X-ray diffraction, 4 ligands (CRQ, NA, CL), 6 pockets (best druggability 0.79). MolNFT v1 #86319 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4B30
- Type
- protein
- Length
- 454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Killerred
- UniProt
- Q2TCH5
- Ligands
- CRQ, NA, CL, SO4
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Killerred | protein | 226 | 7% helix, 53% strand | Q2TCH5 |
| B | Killerred | protein | 228 | 7% helix, 53% strand | Q2TCH5 |
Ligands and binding sites
- CRQ · [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 8 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.79 | 0.97 | 35 | CRQ |
| 2 | 118 | 0.79 | 0.97 | 31 | CRQ |
| 3 | 87 | 0.37 | 0.76 | 22 | empty |
| 4 | 82 | 0.36 | 0.76 | 16 | empty |
| 5 | 50 | 0.32 | 0.77 | 17 | GOL |
Interfaces
1 interface between chains.
- A–B · 1548 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor, 3 modified (chromophore, oxidation).
Compared structures
- 4B30 · Structure of the mutant V44A of the fluorescent protein KillerRed · 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 Q2TCH5
- Elsewhere: RCSB PDB 4B30 · PDBe 4B30 · UniProt Q2TCH5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.