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Crystal structure of redox-sensitive green fluorescent protein clover mutant ROCLOVER1

Analyse Crystal structure of redox-sensitive green fluorescent protein clover mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5WJ4
Type
protein
Length
454 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
P42212
Ligands
CR2
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGreen fluorescent proteinprotein22712% helix, 52% strandP42212

Ligands and binding sites

  • CR2 · {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.790.9731CR2
21220.780.9727CR2
34270.670.8060empty
4840.370.7617empty

Interfaces

1 interface between chains.

  • A–B · 571 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor, 2 disulfide (chromophore, disulfide).

Compared structures

  • 5WJ4 · Crystal structure of redox-sensitive green fluorescent protein Clover mutant roClover1 · 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 A against A, TM-score 0.99

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