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MolNFT v1 · #94661 · protein

Crystal structure of fluorescent protein unag N57Q mutant

4I3C · Bilirubin-inducible fluorescent protein unag: “Crystal structure of fluorescent protein unag N57Q mutant”. X-ray diffraction, 1 ligand (BLR), 1 pocket (best druggability 0.89). MolNFT v1 #94661 on GenesisL1: 3D structure, binding…

PDB
4I3C
Type
protein
Length
278 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bilirubin-inducible fluorescent protein unag
UniProt
P0DM59
Ligands
BLR
Pockets
1 · best druggability 0.89

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBilirubin-inducible fluorescent protein unagprotein13913% helix, 51% strandP0DM59

Ligands and binding sites

  • BLR · 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid · ligand · 2 copies · 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
111200.890.90108BLR

Interfaces

1 interface between chains.

  • A–B · 606 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 4I3C · Crystal structure of fluorescent protein UnaG N57Q mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DM59 · AlphaFold monomer V2.0 prediction for bilirubin-inducible fluorescent protein unag… · a predicted model of the same protein · chain A against A, TM-score 0.93

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