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MolNFT v1 · #37433 · protein

Structure of S65A Y66S GFP variant after backbone fragmentation

2G16 · Green fluorescent protein: “Structure of S65A Y66S GFP variant after backbone fragmentation”. X-ray diffraction, 2 ligands (E1H, CWR), 1 pocket (best druggability 0.73). MolNFT v1 #37433 on GenesisL1: 3D structure, binding sites and…

PDB
2G16
Type
protein
Length
225 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein
UniProt
P42212
Ligands
E1H, CWR
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGreen fluorescent proteinprotein6215% helix, 52% strandP42212
BGreen fluorescent proteinprotein1638% helix, 53% strandP42212

Ligands and binding sites

  • E1H · Ethanimine · ligand · chains A, B
  • CWR · (4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid · ligand · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.730.9820E1H, CWR

Interfaces

1 interface between chains.

  • A–B · 2267 Ų buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 2G16 · Structure of S65A Y66S GFP variant after backbone fragmentation · 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 1.00

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