Research workbench
Borrelia burgdorferi BBK32-C in complex with an autolytic fragment of human C1r at 4.1A
Analyse Borrelia burgdorferi BBK32-C in complex with an autolytic fragment of human C1r… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7MZT
- Type
- protein
- Length
- 513 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 4.07
- Source
- Borrelia burgdorferi (strain ATCC 35210 / B31 / CIP 102532 / DSM 4680); Homo…
- Molecule
- Complement C1r subcomponent heavy chain; Complement C1r subcomponent light chain…
- UniProt
- P00736, O50835
- Ligands
- NAG
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · resolution 4.07 · 3 distinct chains · 25% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Complement C1r subcomponent heavy chain | protein | 142 | 0% helix, 30% strand | P00736 |
| B | Complement C1r subcomponent light chain | protein | 233 | 12% helix, 30% strand | P00736 |
| I | Fibronectin-binding protein BBK32 | protein | 138 | 70% helix, 0% strand | O50835 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.63 | 0.88 | 29 | empty |
| 2 | 88 | 0.40 | 0.77 | 22 | empty |
| 3 | 96 | 0.33 | 0.73 | 25 | empty |
| 4 | 57 | 0.27 | 0.73 | 16 | empty |
Interfaces
2 interfaces between chains.
- B–I · 1397 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 798 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 7MZT · Borrelia burgdorferi BBK32-C in complex with an autolytic fragment of human C1R at 4.1A · the same entry in another collection · chain A against A, TM-score 1.00
- P00736 · AlphaFold monomer V2.0 prediction for complement C1R subcomponent (P00736) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P00736
- Every structure of UniProt O50835
- Elsewhere: RCSB PDB 7MZT · PDBe 7MZT · UniProt P00736 · UniProt O50835
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