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MEOS2 fluorescent protein-green form

Analyse MEOS2 fluorescent protein-green form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3S05
Type
protein
Length
877 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green to red photoconvertible gpf-like protein eosfp
UniProt
Q5S6Z9
Ligands
CR8
Pockets
11 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 5% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen to red photoconvertible gpf-like protein eosfpprotein2205% helix, 56% strandQ5S6Z9
BGreen to red photoconvertible gpf-like protein eosfpprotein2215% helix, 56% strandQ5S6Z9
C, DGreen to red photoconvertible gpf-like protein eosfpprotein2186% helix, 57% strandQ5S6Z9

Ligands and binding sites

  • CR8 · 2-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1-(carboxymethyl)-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1H-imidazol-5-olate · ligand · 4 copies · chains A, B, C, D

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111040.810.8380empty
2780.750.9824CR8
3700.740.9826CR8
4720.730.9826CR8
5710.730.9825CR8

Interfaces

5 interfaces between chains.

  • A–B · 1358 Ų buried · 27 hydrogen bonds · protein-protein
  • C–D · 1336 Ų buried · 25 hydrogen bonds · protein-protein
  • A–C · 912 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 897 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 37 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 3S05 · mEos2 Fluorescent Protein-Green Form · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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