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Bamabcde in MSP1D1 nanodisc ensemble 0-2

Analyse Bamabcde in MSP1D1 nanodisc ensemble 0-2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SN2
Type
protein
Length
1,518 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein assembly factor bama; Outer membrane protein assembly factor bamb…
UniProt
B7MBF8, A0A2S5ZNM3, A0A4T5IPK3, P0AC04, P0A938
Pockets
14 · best druggability 0.78

Structure

electron microscopy · 5 distinct chains · 19% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein assembly factor bamaprotein78315% helix, 40% strandB7MBF8
BOuter membrane protein assembly factor bambprotein3710% helix, 39% strandA0A2S5ZNM3
COuter membrane protein assembly factor bamcprotein595% helix, 0% strandA0A4T5IPK3
DOuter membrane protein assembly factor bamdprotein21869% helix, 0% strandP0AC04
EOuter membrane protein assembly factor bameprotein8714% helix, 31% strandP0A938

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16910.780.8360empty
29400.770.7990empty
35440.730.8173empty
42980.610.7931empty
52110.520.7726empty

Interfaces

6 interfaces between chains.

  • C–D · 2253 Ų buried · 50 hydrogen bonds · protein-protein
  • A–B · 1359 Ų buried · 28 hydrogen bonds · protein-protein
  • A–D · 1219 Ų buried · 46 hydrogen bonds · protein-protein
  • D–E · 682 Ų buried · 6 hydrogen bonds · protein-protein
  • A–E · 640 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6SN2 · BamABCDE in MSP1D1 nanodisc ensemble 0-2 · the same entry in another collection · chain E against E, TM-score 1.00
  • P0AC04 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bamd (P0AC04) · a predicted model of the same protein · chain D against A, TM-score 0.94
  • P0A938 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bame (P0A938) · a predicted model of the same protein · chain E against A, TM-score 0.81
  • B7MBF8 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bama (B7MBF8) · a predicted model of the same protein · chain A against A, TM-score 0.60

Analyse

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