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MolNFT v1 · #117757 · protein

Sfgfp mutant with unnatural amino acid 4-azidoethoxy-L-phenylalanine incorporated at the 149 site

5EHU · Green fluorescent protein: “Sfgfp mutant with unnatural amino acid 4-azidoethoxy-L-phenylalanine incorporated at the 149 site”. X-ray diffraction, 1 ligand (CRO), 3 pockets (best druggability 0.76). MolNFT v1 #117757 on GenesisL1…

PDB
5EHU
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
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGreen fluorescent proteinprotein22812% helix, 50% strandA0A059PIQ0

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, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1930.760.9725CRO
2910.760.9724CRO
31650.460.7631empty

Interfaces

1 interface between chains.

  • A–B · 227 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 5EHU · sfGFP mutant with unnatural amino acid 4-azidoethoxy-L-phenylalanine incorporated at the… · the same entry in another collection · chain A against A, TM-score 1.00

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