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MolNFT v1 · #87534 · protein

Salmonella enterica trimeric lipoprotein sadb

4C47 · Inner membrane lipoprotein: “Salmonella enterica trimeric lipoprotein sadb”. X-ray diffraction, 3 pockets (best druggability 0.78). MolNFT v1 #87534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4C47
Type
protein
Length
568 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inner membrane lipoprotein
UniProt
Q8ZL65
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInner membrane lipoproteinprotein19139% helix, 35% strandQ8ZL65
BInner membrane lipoproteinprotein19038% helix, 35% strandQ8ZL65
CInner membrane lipoproteinprotein18736% helix, 34% strandQ8ZL65

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.780.9824empty
23700.610.7744empty
31700.470.7632empty

Interfaces

3 interfaces between chains.

  • A–C · 2031 Ų buried · 26 hydrogen bonds · protein-protein
  • B–C · 2021 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 1991 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 4C47 · Salmonella enterica trimeric lipoprotein SadB · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8ZL65 · AlphaFold monomer V2.0 prediction for inner membrane lipoprotein sadb (Q8ZL65) · a predicted model of the same protein · chain A against A, TM-score 0.96

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