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MolNFT v1 · #173187 · protein

Lolcde in complex with lipoprotein and lola

7ARM · Lipoprotein-releasing ABC transporter permease subunit lolc: “Lolcde in complex with lipoprotein and lola”. Electron microscopy, 2 ligands (Z41, PLM), 20 pockets (best druggability 0.82). MolNFT v1 #173187 on GenesisL1: 3D…

PDB
7ARM
Type
protein
Length
1,438 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipoprotein-releasing ABC transporter permease subunit lolc; Lipoprotein-releasing system…
EC
7.6.2.-
UniProt
A0A4S5ATA9, P75958, P75957, P61316
Ligands
Z41, PLM
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 31% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CLipoprotein-releasing ABC transporter permease subunit lolcprotein39239% helix, 16% strandA0A4S5ATA9
ELipoprotein-releasing system transmembrane protein loleprotein40942% helix, 13% strandP75958
FLipoprotein-releasing system ATP-binding protein lold (EC 7.6.2.-)protein22124% helix, 11% strandP75957
DLipoprotein-releasing system ATP-binding protein lold (EC 7.6.2.-)protein22424% helix, 7% strandP75957
VLppprotein100% helix, 0% strand—
AOuter-membrane lipoprotein carrier proteinprotein1827% helix, 31% strandP61316

Ligands and binding sites

  • Z41 · (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate · ligand · chains C, E, V
  • PLM · Palmitic acid · ligand · chains C, E, V

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16290.820.8659Z41, PLM
210820.810.8294empty
32170.790.9243empty
41360.770.9439empty
54360.720.8350empty

Interfaces

8 interfaces between chains.

  • C–E · 2372 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 1338 Ų buried · 8 hydrogen bonds · protein-protein
  • E–F · 1041 Ų buried · 3 hydrogen bonds · protein-protein
  • C–A · 874 Ų buried · 8 hydrogen bonds · protein-protein
  • E–V · 367 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 1 covalent, 1 lipid (covalent ligand, palmitoylation).

Compared structures

  • 7ARM · LolCDE in complex with lipoprotein and LolA · the same entry in another collection · chain A against A, TM-score 1.00
  • P75958 · AlphaFold monomer V2.0 prediction for lipoprotein-releasing system transmembrane protein… · a predicted model of the same protein · chain E against A, TM-score 0.93
  • P75957 · AlphaFold monomer V2.0 prediction for lipoprotein-releasing system ATP-binding protein… · a predicted model of the same protein · chain F against A, TM-score 0.91
  • P61316 · AlphaFold monomer V2.0 prediction for outer-membrane lipoprotein carrier protein (P61316) · a predicted model of the same protein · chain A against A, TM-score 0.88

Analyse

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