Research workbench
Crystal structure of Sesquisabinene B Synthase 1 mutant T313S
Analyse Crystal structure of Sesquisabinene B Synthase 1 mutant T313S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7E9R
- Type
- protein
- Length
- 2,029 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3.41
- Source
- Santalum album
- Molecule
- Sesquisabinene B synthase 1
- UniProt
- A0A0A0RDR2
- Ligands
- MG
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · resolution 3.41 · 3 distinct chains · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sesquisabinene B synthase 1 | protein | 509 | 74% helix, 0% strand | A0A0A0RDR2 |
| C | Sesquisabinene B synthase 1 | protein | 507 | 75% helix, 0% strand | A0A0A0RDR2 |
| D | Sesquisabinene B synthase 1 | protein | 504 | 74% helix, 0% strand | A0A0A0RDR2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1164 | 0.78 | 0.80 | 118 | empty |
| 2 | 1049 | 0.78 | 0.80 | 97 | MG |
| 3 | 217 | 0.73 | 0.89 | 32 | empty |
| 4 | 279 | 0.73 | 0.86 | 36 | empty |
| 5 | 474 | 0.72 | 0.82 | 52 | MG |
Interfaces
4 interfaces between chains.
- A–D · 637 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 532 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 243 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 85 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7E9R · Crystal structure of sesquisabinene B synthase 1 mutant T313S · 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 A0A0A0RDR2
- Elsewhere: RCSB PDB 7E9R · PDBe 7E9R · UniProt A0A0A0RDR2
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