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MolNFT v1 · #164141 · protein

Bamabcde in MSP1D1 nanodisc ensemble 1-8

6SOJ · Outer membrane protein assembly factor bama: “Bamabcde in MSP1D1 nanodisc ensemble 1-8”. Electron microscopy, 9 pockets (best druggability 0.67). MolNFT v1 #164141 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6SOJ
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
9 · best druggability 0.67

Structure

electron microscopy · 5 distinct chains · 20% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein assembly factor bamaprotein78316% helix, 38% strandB7MBF8
BOuter membrane protein assembly factor bambprotein3710% helix, 36% strandA0A2S5ZNM3
COuter membrane protein assembly factor bamcprotein595% helix, 0% strandA0A4T5IPK3
DOuter membrane protein assembly factor bamdprotein21875% helix, 0% strandP0AC04
EOuter membrane protein assembly factor bameprotein8711% helix, 34% strandP0A938

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14100.670.8036empty
22880.620.8039empty
33370.580.7651empty
43420.570.7634empty
5630.510.8621empty

Interfaces

6 interfaces between chains.

  • C–D · 2808 Ų buried · 85 hydrogen bonds · protein-protein
  • A–B · 1604 Ų buried · 34 hydrogen bonds · protein-protein
  • A–D · 1323 Ų buried · 50 hydrogen bonds · protein-protein
  • A–E · 889 Ų buried · 11 hydrogen bonds · protein-protein
  • D–E · 830 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6SOJ · BamABCDE in MSP1D1 nanodisc ensemble 1-8 · 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 0.91
  • 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 0.80
  • 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 0.57

Analyse

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