MolNFT v2 · #165858 · protein
Structure of E. coli BamA in complex with lipoprotein RcsF
6T1W · Outer membrane protein assembly factor BamA: “Structure of E. coli BamA in complex with lipoprotein RcsF”. X-ray diffraction at 3.79, 20 pockets (best druggability 0.88). MolNFT v2 #165858 on GenesisL1: 3D structure, binding sites…
- PDB
- 6T1W
- Type
- protein
- Length
- 1,388 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.79
- Source
- Escherichia coli K-12
- Molecule
- Outer membrane protein assembly factor BamA; Outer membrane lipoprotein RcsF
- UniProt
- P0A940, E2QFC4
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · resolution 3.79 · 4 distinct chains · 14% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane protein assembly factor BamA | protein | 761 | 15% helix, 42% strand | P0A940 |
| B | Outer membrane protein assembly factor BamA | protein | 466 | 10% helix, 48% strand | P0A940 |
| C | Outer membrane lipoprotein RcsF | protein | 80 | 20% helix, 36% strand | E2QFC4 |
| D | Outer membrane lipoprotein RcsF | protein | 81 | 20% helix, 38% strand | E2QFC4 |
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1050 | 0.88 | 0.90 | 133 | empty |
| 2 | 589 | 0.86 | 0.91 | 93 | empty |
| 3 | 636 | 0.80 | 0.85 | 77 | empty |
| 4 | 155 | 0.78 | 0.95 | 35 | empty |
| 5 | 113 | 0.78 | 0.97 | 31 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1771 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 1618 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 529 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6T1W · Structure of E. COLI bama in complex with lipoprotein rcsf · 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 B against A, TM-score 0.84
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 P0A940
- Every structure of UniProt E2QFC4
- Elsewhere: RCSB PDB 6T1W · PDBe 6T1W · UniProt P0A940 · UniProt E2QFC4
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