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
- 2,025 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sesquisabinene B synthase 1
- UniProt
- A0A0A0RDR2
- Ligands
- MG
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sesquisabinene B synthase 1 | protein | 509 | 72% helix, 0% strand | A0A0A0RDR2 |
| B, C | Sesquisabinene B synthase 1 | protein | 506 | 73% helix, 0% strand | A0A0A0RDR2 |
| D | Sesquisabinene B synthase 1 | protein | 504 | 73% helix, 0% strand | A0A0A0RDR2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 8 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, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.78 | 0.80 | 98 | MG |
| 2 | 875 | 0.76 | 0.79 | 78 | empty |
| 3 | 268 | 0.75 | 0.88 | 32 | empty |
| 4 | 529 | 0.74 | 0.82 | 52 | MG |
| 5 | 219 | 0.73 | 0.88 | 31 | empty |
Interfaces
4 interfaces between chains.
- A–D · 641 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 515 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 210 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 53 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 B against B, 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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