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The crystal structure of SMU.793 from streptococcus mutans UA159

Analyse The crystal structure of SMU.793 from streptococcus mutans UA159 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LBB
Type
protein
Length
248 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative uncharacterized protein SMU.793
UniProt
Q8DUV0
Ligands
SO4, CL
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative uncharacterized protein SMU.793protein12417% helix, 53% strandQ8DUV0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12270.680.8528empty
21510.670.8828empty

Interfaces

1 interface between chains.

  • A–B · 1540 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 3LBB · The Crystal Structure of smu.793 from Streptococcus mutans UA159 · the same entry in another collection · chain A against A, TM-score 1.00

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