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Crystal structure analysis of a rate-enhanced variant of redox- sensitive green fluorescent protein in the reduced form, ROGFP1-R8.

Analyse Crystal structure analysis of a rate-enhanced variant of redox- sensitive green… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2AHA
Type
protein
Length
450 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
P42212
Ligands
GYS, SO4
Pockets
6 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGreen fluorescent proteinprotein2259% helix, 52% strandP42212

Ligands and binding sites

  • GYS · [(4Z)-2-(1-amino-2-hydroxyethyl)-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.790.9826GYS
21270.790.9729GYS
3570.720.9917empty
41260.390.7423empty
5710.350.7717empty

Interfaces

1 interface between chains.

  • A–B · 1039 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (chromophore).

Compared structures

  • 2AHA · Crystal structure analysis of a rate-enhanced variant of redox-sensitive green… · the same entry in another collection · chain A against A, TM-score 1.00
  • P42212 · AlphaFold monomer V2.0 prediction for green fluorescent protein (P42212) · a predicted model of the same protein · chain B against A, TM-score 0.99

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