MolNFT v1 · #184061 · protein
Selenomethionine derivative of alpha-humulene synthase ASR6 from sarocladium schorii
7OC6: “Selenomethionine derivative of alpha-humulene synthase ASR6 from sarocladium schorii”. X-ray diffraction, 2 ligands (ZN, SO4), 4 pockets (best druggability 0.77). MolNFT v1 #184061 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7OC6
- Type
- protein
- Length
- 381 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-humulene synthase ASR6
- EC
- 4.2.3.104
- UniProt
- A0A2U8U2L5
- Ligands
- ZN, SO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-humulene synthase ASR6 (EC 4.2.3.104) | protein | 381 | 60% helix, 1% strand | A0A2U8U2L5 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.77 | 0.82 | 61 | GOL, SO4 |
| 2 | 69 | 0.40 | 0.79 | 17 | empty |
| 3 | 96 | 0.36 | 0.74 | 17 | empty |
| 4 | 64 | 0.32 | 0.76 | 18 | empty |
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 7OC6 · Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii · 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 A0A2U8U2L5
- Elsewhere: RCSB PDB 7OC6 · PDBe 7OC6 · UniProt A0A2U8U2L5
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