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MolNFT v1 · #30149 · protein

Eosfp fluorescent protein- green form

1ZUX · Green to red photoconvertible gpf-like protein eosfp: “Eosfp fluorescent protein- green form”. X-ray diffraction, 1 ligand (CR8), 12 pockets (best druggability 0.82). MolNFT v1 #30149 on GenesisL1: 3D structure, binding sites and…

PDB
1ZUX
Type
protein
Length
876 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green to red photoconvertible gpf-like protein eosfp
Ligands
CR8
Pockets
12 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DGreen to red photoconvertible gpf-like protein eosfpprotein2195% helix, 57% strand—

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

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111700.820.8477empty
2750.750.9823CR8
3740.740.9824CR8
4700.740.9824CR8
5740.740.9826CR8

Interfaces

5 interfaces between chains.

  • A–B · 1229 Ų buried · 13 hydrogen bonds · protein-protein
  • C–D · 1193 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 1040 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 1037 Ų buried · 29 hydrogen bonds · protein-protein
  • B–C · 13 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 1ZUX · EosFP Fluorescent Protein- Green Form · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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