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MolNFT v1 · #78945 · protein

Crystal structure of a putativel nudix hydrolase (LMOF2365_2679) from listeria monocytogenes str. 4B F2365 at 1.70 a resolution

3SON · Hypothetical nudix hydrolase: “Crystal structure of a putativel nudix hydrolase (LMOF2365_2679) from listeria monocytogenes str. 4B F2365 at…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.70). MolNFT v1 #78945 on…

PDB
3SON
Type
protein
Length
293 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical nudix hydrolase
UniProt
Q71W72
Ligands
CA
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical nudix hydrolaseprotein14728% helix, 35% strandQ71W72
BHypothetical nudix hydrolaseprotein14626% helix, 36% strandQ71W72

Ligands and binding sites

  • CA · Calcium ion · metal · 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
14840.700.8067empty

Interfaces

1 interface between chains.

  • A–B · 906 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 3SON · Crystal structure of a putativel NUDIX hydrolase (LMOf2365_2679) from Listeria… · the same entry in another collection · chain A against A, TM-score 1.00

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