MolNFT v2 · #195858 · protein
BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state
7TT7 · Outer membrane protein assembly factor BamA: “BamABCDE bound to substrate EspP in the barrelized EspP/continuous open BamA state”. Electron microscopy at 4.8, 12 pockets (best druggability 0.76). MolNFT v2 #195858 on GenesisL1: 3D…
- PDB
- 7TT7
- Type
- protein
- Length
- 867 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 4.8
- Source
- Escherichia coli
- Molecule
- Outer membrane protein assembly factor BamA; Outer membrane protein assembly factor BamC…
- EC
- 3.4.21.-
- UniProt
- C3TPJ2, W8SZY2, A0A3L5AP29, A0A1X3I1M6, P0AEX9, Q7BSW5
- Pockets
- 12 · best druggability 0.76
Structure
electron microscopy · resolution 4.8 · 5 distinct chains · 17% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane protein assembly factor BamA | protein | 496 | 12% helix, 45% strand | C3TPJ2 |
| C | Outer membrane protein assembly factor BamC | protein | 28 | 14% helix, 0% strand | W8SZY2 |
| E | Outer membrane protein assembly factor BamE | protein | 89 | 17% helix, 37% strand | A0A3L5AP29 |
| D | Outer membrane protein assembly factor BamD | protein | 102 | 65% helix, 0% strand | A0A1X3I1M6 |
| P | Maltose/maltodextrin-binding periplasmic protein,Serine protease EspP chimera (EC 3.4.21.-) | protein | 152 | 0% helix, 70% strand | P0AEX9, Q7BSW5 |
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 744 | 0.76 | 0.81 | 84 | empty |
| 2 | 1200 | 0.74 | 0.77 | 130 | empty |
| 3 | 64 | 0.62 | 0.92 | 23 | empty |
| 4 | 519 | 0.60 | 0.74 | 55 | empty |
| 5 | 157 | 0.54 | 0.80 | 37 | empty |
Interfaces
7 interfaces between chains.
- A–D · 949 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 937 Ų buried · 8 hydrogen bonds · protein-protein
- A–E · 794 Ų buried · 7 hydrogen bonds · protein-protein
- A–P · 736 Ų buried · 14 hydrogen bonds · protein-protein
- E–D · 531 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7TT7 · Bamabcde bound to substrate espp in the barrelized ESPP/CONTINUOUS open bama state · the same entry in another collection · chain A against A, 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 0.59
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt C3TPJ2
- Every structure of UniProt W8SZY2
- Every structure of UniProt A0A3L5AP29
- Every structure of UniProt A0A1X3I1M6
- Every structure of UniProt P0AEX9
- Every structure of UniProt Q7BSW5
- Elsewhere: RCSB PDB 7TT7 · PDBe 7TT7 · UniProt C3TPJ2 · UniProt W8SZY2 · UniProt A0A3L5AP29 · UniProt A0A1X3I1M6 · UniProt P0AEX9 · UniProt Q7BSW5
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