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MolNFT v1 · #70903 · protein

Crystal structure of putative uncharacterized protein from jonesia denitrificans

3LYD: “Crystal structure of putative uncharacterized protein from jonesia denitrificans”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.38). MolNFT v1 #70903 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3LYD
Type
protein
Length
318 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
C7QYG7
Ligands
MG
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein15818% helix, 47% strandC7QYG7
BUncharacterized proteinprotein16018% helix, 47% strandC7QYG7

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1710.380.7820empty
2770.340.7521empty

Interfaces

1 interface between chains.

  • A–B · 1621 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3LYD · Crystal structure of Putative uncharacterized protein from Jonesia denitrificans · the same entry in another collection · chain A against A, TM-score 1.00

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