MolNFT v1 · #161964 · protein
Ghk tagged GFP variant crystal form II at 1.34A wavelength
6QUH · Green fluorescent protein: “Ghk tagged GFP variant crystal form II at 1.34A wavelength”. X-ray diffraction, 3 ligands (CRO, CU, CA), 6 pockets (best druggability 0.78). MolNFT v1 #161964 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6QUH
- Type
- protein
- Length
- 456 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Green fluorescent protein
- UniProt
- A0A059PIQ0
- Ligands
- CRO, CU, CA
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Green fluorescent protein | protein | 228 | 11% 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 · 2 copies · chains A, C
- CU · Copper (II) ion · metal · 4 copies · chains A, C
- CA · Calcium ion · metal · 2 copies · chains A, C
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 101 | 0.78 | 0.98 | 25 | CRO |
| 2 | 89 | 0.76 | 0.98 | 25 | CRO |
| 3 | 394 | 0.58 | 0.75 | 47 | empty |
| 4 | 243 | 0.52 | 0.76 | 39 | empty |
| 5 | 101 | 0.42 | 0.78 | 18 | MPD |
Interfaces
1 interface between chains.
- A–C · 538 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (chromophore).
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 6QUH · PDBe 6QUH · UniProt A0A059PIQ0
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