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MolNFT v1 · #72654 · protein

MPLUM-TTN

3NF0 · Fluorescent protein plum: “MPLUM-TTN”. X-ray diffraction, 2 ligands (MLT, CH6), 1 pocket (best druggability 0.72). MolNFT v1 #72654 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3NF0
Type
protein
Length
217 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fluorescent protein plum
UniProt
Q5S3G7
Ligands
MLT, CH6
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFluorescent protein plumprotein2173% helix, 57% strandQ5S3G7

Ligands and binding sites

  • MLT · D-malate · ligand · 3 copies · chains A
  • CH6 · {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · chains A

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
1720.720.9721CH6

Modifications

Observed in the structure: 2 cofactor (chromophore).

Compared structures

  • 3NF0 · mPlum-TTN · the same entry in another collection · chain A against A, TM-score 1.00

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