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Lptbfgc from enterobacter cloacae

Analyse Lptbfgc from enterobacter cloacae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MIT
Type
protein
Length
2,657 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipopolysaccharide export system ATP-binding protein; Lipopolysaccharide export system…
UniProt
A0A0H3CR83, A0A0H3CU18, A0A232G4N0, A0A0H3CQA2
Ligands
NOV, SO4, CL
Pockets
20 · best druggability 0.74

Structure

x-ray diffraction · 7 distinct chains · 52% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, DLipopolysaccharide export system ATP-binding proteinprotein24037% helix, 22% strandA0A0H3CR83
C, HLipopolysaccharide export system protein lptcprotein17512% helix, 54% strandA0A0H3CU18
FLps export ABC transporter permease lptfprotein35059% helix, 15% strandA0A232G4N0
GLipopolysaccharide export system permease protein lptgprotein35563% helix, 15% strandA0A0H3CQA2
ELipopolysaccharide export system ATP-binding proteinprotein23840% helix, 26% strandA0A0H3CR83
ILps export ABC transporter permease lptfprotein33560% helix, 13% strandA0A232G4N0
JLipopolysaccharide export system permease protein lptgprotein30970% helix, 7% strandA0A0H3CQA2

Ligands and binding sites

  • NOV · Novobiocin · ligand · chains B, E
  • SO4 · Sulfate ion · ion · 11 copies · chains A, B, F, G, D, E, I, J
  • CL · Chloride ion · ion · chains A

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

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15170.740.8255empty
24380.740.8347empty
38300.730.7883empty
411200.730.76106SO4
56790.730.7979empty

Interfaces

15 interfaces between chains.

  • C–F · 1298 Ų buried · 15 hydrogen bonds · protein-protein
  • F–G · 1281 Ų buried · 5 hydrogen bonds · protein-protein
  • H–I · 1227 Ų buried · 14 hydrogen bonds · protein-protein
  • B–F · 1065 Ų buried · 10 hydrogen bonds · protein-protein
  • E–I · 1049 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6MIT · LptBFGC from Enterobacter cloacae · the same entry in another collection · chain I against I, TM-score 1.00

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