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MolNFT v1 · #188462 · protein

Bamabcde bound to substrate espp class 6

7TT4 · Outer membrane protein assembly factor bama: “Bamabcde bound to substrate espp class 6”. Electron microscopy, 20 pockets (best druggability 0.81). MolNFT v1 #188462 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7TT4
Type
protein
Length
1,346 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein assembly factor bama; MALTOSE/MALTODEXTRIN-binding periplasmic…
EC
3.4.21.-
UniProt
C3TPJ2, Q7BSW5, A0A1X3I1M6, W8SZY2, A0A3L5AP29, A0A507WQ69
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 6 distinct chains · 20% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein assembly factor bamaprotein62114% helix, 45% strandC3TPJ2
PMALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SERINE protease espp chimera (EC 3.4.21.-)protein250% helix, 48% strandQ7BSW5
DOuter membrane protein assembly factor bamdprotein21377% helix, 0% strandA0A1X3I1M6
COuter membrane protein assembly factor bamcprotein4815% helix, 0% strandW8SZY2
EOuter membrane protein assembly factor bameprotein8920% helix, 35% strandA0A3L5AP29
BOuter membrane protein assembly factor bambprotein3500% helix, 46% strandA0A507WQ69

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13960.810.9065empty
28550.800.8390empty
31550.620.8539empty
43300.580.7642empty
52790.570.7732empty

Interfaces

8 interfaces between chains.

  • D–C · 1822 Ų buried · 15 hydrogen bonds · protein-protein
  • A–D · 1000 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 859 Ų buried · 19 hydrogen bonds · protein-protein
  • A–E · 849 Ų buried · 11 hydrogen bonds · protein-protein
  • D–E · 826 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7TT4 · BamABCDE bound to substrate EspP class 6 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q7BSW5 · AlphaFold monomer V2.0 prediction for serine protease espp (Q7BSW5) · a predicted model of the same protein · chain P against A, TM-score 0.55

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