Research workbench
Crystal structure of a native bcsrq complex purified and crystallized in the absence of nucleotide
Analyse Crystal structure of a native bcsrq complex purified and crystallized in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6YB3
- Type
- protein
- Length
- 567 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial cellulose secretion regulator bcsq; Bacterial cellulose secretion regulator bcsr
- UniProt
- A0A0B1KWQ0, J7QAC9
- Ligands
- ATP, MG
- Pockets
- 3 · best druggability 0.89
Structure
x-ray diffraction · 4 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacterial cellulose secretion regulator bcsq | protein | 242 | 43% helix, 18% strand | A0A0B1KWQ0 |
| B | Bacterial cellulose secretion regulator bcsq | protein | 240 | 43% helix, 17% strand | A0A0B1KWQ0 |
| C | Bacterial cellulose secretion regulator bcsr | protein | 47 | 43% helix, 26% strand | J7QAC9 |
| D | Bacterial cellulose secretion regulator bcsr | protein | 38 | 37% helix, 16% strand | J7QAC9 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1196 | 0.89 | 0.91 | 129 | MG, ATP |
| 2 | 50 | 0.37 | 0.80 | 12 | empty |
| 3 | 58 | 0.34 | 0.77 | 13 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1674 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 1456 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 1366 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 563 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 518 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6YB3 · Crystal structure of a native BcsRQ complex purified and crystallized in the absence of… · 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 A0A0B1KWQ0
- Every structure of UniProt J7QAC9
- Elsewhere: RCSB PDB 6YB3 · PDBe 6YB3 · UniProt A0A0B1KWQ0 · UniProt J7QAC9
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