GL1X · GenesisL1 explorer

MolNFT v1 · #164088 · protein

Bamabcde in MSP1D1 nanodisc

6SMX · Outer membrane protein assembly factor bama: “Bamabcde in MSP1D1 nanodisc”. Electron microscopy, 11 pockets (best druggability 0.74). MolNFT v1 #164088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6SMX
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
11 · best druggability 0.74

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein assembly factor bamaprotein78316% helix, 37% strandB7MBF8
BOuter membrane protein assembly factor bambprotein3711% helix, 36% strandA0A2S5ZNM3
COuter membrane protein assembly factor bamcprotein5912% helix, 0% strandA0A4T5IPK3
DOuter membrane protein assembly factor bamdprotein21873% helix, 0% strandP0AC04
EOuter membrane protein assembly factor bameprotein8716% helix, 38% strandP0A938

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19080.740.7872empty
26240.720.7955empty
31420.620.8535empty
43550.600.7751empty
52680.550.7639empty

Interfaces

6 interfaces between chains.

  • C–D · 2607 Ų buried · 76 hydrogen bonds · protein-protein
  • A–B · 1391 Ų buried · 34 hydrogen bonds · protein-protein
  • A–D · 1329 Ų buried · 42 hydrogen bonds · protein-protein
  • A–E · 795 Ų buried · 14 hydrogen bonds · protein-protein
  • D–E · 720 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6SMX · BamABCDE in MSP1D1 nanodisc · 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 0.80
  • 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 0.62

Analyse

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