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Structure of a membrane complex

Analyse Structure of a membrane complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5AYW
Type
protein
Length
1,489 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein assembly factor bama; Outer membrane protein assembly factor bamb…
UniProt
P0A940, P77774, P0A903, P0AC02, P0A937
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 5 distinct chains · 19% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein assembly factor bamaprotein78515% helix, 42% strandP0A940
BOuter membrane protein assembly factor bambprotein3480% helix, 45% strandP77774
COuter membrane protein assembly factor bamcprotein5611% helix, 0% strandP0A903
DOuter membrane protein assembly factor bamdprotein21273% helix, 0% strandP0AC02
EOuter membrane protein assembly factor bameprotein888% helix, 30% strandP0A937

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17650.760.8193empty
210670.720.76108empty
3570.710.9824empty
43140.620.7953empty
54170.600.7649empty

Interfaces

6 interfaces between chains.

  • C–D · 2129 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 1559 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 1041 Ų buried · 15 hydrogen bonds · protein-protein
  • A–E · 976 Ų buried · 6 hydrogen bonds · protein-protein
  • D–E · 683 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5AYW · Structure of a membrane complex · the same entry in another collection · chain E against E, TM-score 1.00
  • P77774 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bamb (P77774) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P0A940 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bama (P0A940) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P0AC02 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bamd (P0AC02) · a predicted model of the same protein · chain D against A, TM-score 0.94
  • P0A937 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bame (P0A937) · a predicted model of the same protein · chain E against A, TM-score 0.87
  • P0A903 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bamc (P0A903) · a predicted model of the same protein · chain C against A, TM-score 0.73

Analyse

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