MolNFT v1 · #90763 · protein
Crystal structure of the cbs domain of cbs domain containing membrane protein from sphaerobacter thermophilus
4ESY: “Crystal structure of the cbs domain of cbs domain containing membrane protein from sphaerobacter thermophilus”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.77). MolNFT v1 #90763 on GenesisL1: 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
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.