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Crystal structure of fast switching M159T mutant of fluorescent protein dronpa (DRONPA2)

Analyse Crystal structure of fast switching M159T mutant of fluorescent protein dronpa… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NQJ
Type
protein
Length
878 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fluorescent protein dronpa
UniProt
Q5TLG6
Ligands
GYC
Pockets
14 · best druggability 0.82

Structure

x-ray diffraction · 4 distinct chains · 3% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFluorescent protein dronpaprotein2232% helix, 56% strandQ5TLG6
BFluorescent protein dronpaprotein2173% helix, 57% strandQ5TLG6
CFluorescent protein dronpaprotein2234% helix, 56% strandQ5TLG6
DFluorescent protein dronpaprotein2153% helix, 58% strandQ5TLG6

Ligands and binding sites

  • GYC · [(4Z)-2-[(1R)-1-amino-2-mercaptoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111420.820.83124empty
2950.770.9826GYC
3910.770.9825GYC
4950.770.9826GYC
5820.740.9726GYC

Interfaces

4 interfaces between chains.

  • C–D · 1237 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 1232 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 828 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 824 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 covalent (covalent ligand).

Compared structures

  • 6NQJ · Crystal structure of fast switching M159T mutant of fluorescent protein Dronpa (Dronpa2) · the same entry in another collection · chain A against A, TM-score 1.00

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