Research workbench
Crystal structure of the bacterial cellulose secretion regulator bcse, residues 217-523, with bound C-di-gmp.
Analyse Crystal structure of the bacterial cellulose secretion regulator bcse, residues… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TJ0
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial cellulose synthesis subunit E
- UniProt
- P37657
- Ligands
- C2E
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacterial cellulose synthesis subunit E | protein | 266 | 39% helix, 20% strand | P37657 |
| B | Bacterial cellulose synthesis subunit E | protein | 253 | 40% helix, 21% strand | P37657 |
Ligands and binding sites
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.56 | 0.78 | 33 | C2E |
| 2 | 60 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 185 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 19 modified (engineered).
Compared structures
- 6TJ0 · Crystal structure of the bacterial cellulose secretion regulator BcsE, residues 217-523… · the same entry in another collection · chain A against A, TM-score 1.00
- P37657 · AlphaFold monomer V2.0 prediction for cyclic di-gmp binding protein bcse (P37657) · a predicted model of the same protein · chain B against A, TM-score 0.58
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 P37657
- Elsewhere: RCSB PDB 6TJ0 · PDBe 6TJ0 · UniProt P37657
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