Research workbench
Apo form of carbon disulfide hydrolase (selenomethionine form)
Analyse Apo form of carbon disulfide hydrolase (selenomethionine form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TEO
- Type
- protein
- Length
- 3,231 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carbon disulfide hydrolase
- Ligands
- CL
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, I, J, K, L, M, N, O, P | Carbon disulfide hydrolase | protein | 202 | 38% helix, 15% strand | — |
| H | Carbon disulfide hydrolase | protein | 201 | 39% helix, 15% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 22 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
- PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol · additive · 2 copies · chains E, G, H, F, M, O, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.80 | 0.85 | 94 | empty |
| 2 | 482 | 0.79 | 0.87 | 62 | empty |
| 3 | 363 | 0.77 | 0.87 | 42 | empty |
| 4 | 262 | 0.76 | 0.89 | 46 | empty |
| 5 | 288 | 0.76 | 0.88 | 45 | empty |
Interfaces
61 interfaces between chains.
- C–D · 3389 Ų buried · 59 hydrogen bonds · protein-protein
- A–B · 3375 Ų buried · 65 hydrogen bonds · protein-protein
- E–F · 3370 Ų buried · 68 hydrogen bonds · protein-protein
- I–J · 3369 Ų buried · 62 hydrogen bonds · protein-protein
- K–L · 3368 Ų buried · 65 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 48 modified (engineered).
Compared structures
- 3TEO · APO Form of carbon disulfide hydrolase (selenomethionine form) · 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
- Elsewhere: RCSB PDB 3TEO · PDBe 3TEO
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