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Cryo-EM structure of escherichia COLI acrbz and darpin in saposin a- nanodisc with cardiolipin

Analyse Cryo-EM structure of escherichia COLI acrbz and darpin in saposin a- nanodisc… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SGR
Type
protein
Length
3,528 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multidrug efflux pump subunit acrb; Darpin; Multidrug efflux pump accessory protein acrz
UniProt
P31224, P0AAW9
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 6 distinct chains · 52% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMultidrug efflux pump subunit acrbprotein104450% helix, 19% strandP31224
B, CMultidrug efflux pump subunit acrbprotein103352% helix, 18% strandP31224
DDarpinprotein15651% helix, 0% strand—
EDarpinprotein15251% helix, 0% strand—
F, HMultidrug efflux pump accessory protein acrzprotein3792% helix, 0% strandP0AAW9
GMultidrug efflux pump accessory protein acrzprotein3692% helix, 0% strandP0AAW9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19480.840.86103empty
26270.830.8878empty
35610.820.8896empty
411760.810.8291empty
52610.810.9233empty

Interfaces

10 interfaces between chains.

  • A–B · 3617 Ų buried · 30 hydrogen bonds · protein-protein
  • A–C · 3457 Ų buried · 27 hydrogen bonds · protein-protein
  • B–C · 3051 Ų buried · 30 hydrogen bonds · protein-protein
  • C–F · 1350 Ų buried · 5 hydrogen bonds · protein-protein
  • B–H · 1236 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6SGR · Cryo-EM structure of Escherichia coli AcrBZ and DARPin in Saposin A-nanodisc with… · the same entry in another collection · chain H against H, TM-score 1.00
  • P31224 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acrb (P31224) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P0AAW9 · AlphaFold monomer V2.0 prediction for multidrug efflux pump accessory protein acrz… · a predicted model of the same protein · chain H against A, TM-score 0.87

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