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MolNFT v1 · #186571 · protein

The structure of bam in MSP1D1 nanodiscs

7RI7 · Outer membrane protein assembly factor bama: “The structure of bam in MSP1D1 nanodiscs”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #186571 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RI7
Type
protein
Length
1,520 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
P0A940, A0A507WQ69, W8SZY2, C3SYV7, A0A3L5AP29
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 5 distinct chains · 20% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein assembly factor bamaprotein78216% helix, 30% strandP0A940
BOuter membrane protein assembly factor bambprotein3700% helix, 30% strandA0A507WQ69
COuter membrane protein assembly factor bamcprotein650% helix, 0% strandW8SZY2
DOuter membrane protein assembly factor bamdprotein21778% helix, 0% strandC3SYV7
EOuter membrane protein assembly factor bameprotein8614% helix, 29% strandA0A3L5AP29

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111800.880.89123empty
24350.840.9172empty
32680.820.9448empty
45190.800.8662empty
51210.770.9628empty

Interfaces

6 interfaces between chains.

  • C–D · 2059 Ų buried · 26 hydrogen bonds · protein-protein
  • A–B · 1038 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 840 Ų buried · 10 hydrogen bonds · protein-protein
  • A–E · 468 Ų buried · 2 hydrogen bonds · protein-protein
  • D–E · 354 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7RI7 · The structure of BAM in MSP1D1 nanodiscs · the same entry in another collection · chain A against A, TM-score 1.00
  • 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 0.56

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