Research workbench
Crystal structure of the cbs domain of cbs domain containing membrane protein from sphaerobacter thermophilus
Analyse Crystal structure of the cbs domain of cbs domain containing membrane protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ESY
- Type
- protein
- Length
- 326 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cbs domain containing membrane protein
- UniProt
- D1CAK9
- Ligands
- CL
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cbs domain containing membrane protein | protein | 163 | 45% helix, 20% strand | D1CAK9 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 950 | 0.77 | 0.80 | 75 | CL |
| 2 | 127 | 0.51 | 0.80 | 20 | CL, EDO |
| 3 | 140 | 0.50 | 0.79 | 21 | EDO, CL |
| 4 | 118 | 0.41 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1643 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 modified (engineered, oxidation).
Compared structures
- 4ESY · Crystal Structure of the CBS Domain of CBS Domain Containing Membrane Protein from… · 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 D1CAK9
- Elsewhere: RCSB PDB 4ESY · PDBe 4ESY · UniProt D1CAK9
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