Research workbench
Crystal structure of the membrane attack complex assembly inhibitor BGA71 from lyme disease agent borreliella bavariensis (native data)
Analyse Crystal structure of the membrane attack complex assembly inhibitor BGA71 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6FMH
- Type
- protein
- Length
- 1,017 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane attack complex assembly inhibitor BGA71
- UniProt
- Q6ASF4
- Pockets
- 8 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Membrane attack complex assembly inhibitor BGA71 | protein | 183 | 81% helix, 0% strand | Q6ASF4 |
| B | Membrane attack complex assembly inhibitor BGA71 | protein | 177 | 80% helix, 0% strand | Q6ASF4 |
| C | Membrane attack complex assembly inhibitor BGA71 | protein | 175 | 80% helix, 0% strand | Q6ASF4 |
| D | Membrane attack complex assembly inhibitor BGA71 | protein | 179 | 79% helix, 0% strand | Q6ASF4 |
| E | Membrane attack complex assembly inhibitor BGA71 | protein | 166 | 80% helix, 0% strand | Q6ASF4 |
| F | Membrane attack complex assembly inhibitor BGA71 | protein | 137 | 82% helix, 0% strand | Q6ASF4 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 549 | 0.84 | 0.90 | 55 | empty |
| 2 | 510 | 0.83 | 0.90 | 59 | empty |
| 3 | 979 | 0.79 | 0.81 | 73 | empty |
| 4 | 249 | 0.51 | 0.75 | 32 | empty |
| 5 | 138 | 0.48 | 0.78 | 20 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1119 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 1031 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 869 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 337 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 317 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6FMH · Crystal structure of the membrane attack complex assembly inhibitor BGA71 from Lyme… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q6ASF4
- Elsewhere: RCSB PDB 6FMH · PDBe 6FMH · UniProt Q6ASF4
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