GL1X · GenesisL1 explorer

MolNFT v1 · #175004 · protein

GFP-40/GFPUV complex, form I

7CD7 · Green fluorescent protein: “GFP-40/GFPUV complex, form I”. X-ray diffraction, 1 ligand (CRO), 5 pockets (best druggability 0.76). MolNFT v1 #175004 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7CD7
Type
protein
Length
668 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein; GFP-40
UniProt
P42212
Ligands
CRO
Pockets
5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, DGreen fluorescent proteinprotein23513% helix, 50% strandP42212
A, CGFP-40protein9917% helix, 47% strand—

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 B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1840.760.9826CRO
2950.750.9625CRO
31290.430.7619empty
41130.420.7720empty
5630.300.7412empty

Interfaces

4 interfaces between chains.

  • B–A · 669 Ų buried · 10 hydrogen bonds · protein-protein
  • D–C · 661 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 182 Ų buried · 4 hydrogen bonds · protein-protein
  • D–A · 53 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (chromophore).

Compared structures

  • 7CD7 · GFP-40/GFPuv complex, Form I · the same entry in another collection · chain B against B, 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 0.98

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