MolNFT v1 · #142279 · protein
Crystal structure of a enzyme from santalum album
5ZZJ · Santalene synthase: “Crystal structure of a enzyme from santalum album”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #142279 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5ZZJ
- Type
- protein
- Length
- 2,082 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Santalene synthase
- EC
- 4.2.3.81, 4.2.3.82, 4.2.3.83
- UniProt
- E3W202
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Santalene synthase (EC 4.2.3.81, 4.2.3.82, 4.2.3.83) | protein | 522 | 71% helix, 0% strand | E3W202 |
| B | Santalene synthase (EC 4.2.3.81, 4.2.3.82, 4.2.3.83) | protein | 520 | 71% helix, 0% strand | E3W202 |
| C | Santalene synthase (EC 4.2.3.81, 4.2.3.82, 4.2.3.83) | protein | 519 | 70% helix, 0% strand | E3W202 |
| D | Santalene synthase (EC 4.2.3.81, 4.2.3.82, 4.2.3.83) | protein | 521 | 69% helix, 0% strand | E3W202 |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1102 | 0.82 | 0.83 | 100 | empty |
| 2 | 937 | 0.82 | 0.84 | 87 | empty |
| 3 | 1106 | 0.81 | 0.82 | 100 | empty |
| 4 | 765 | 0.81 | 0.84 | 71 | empty |
| 5 | 500 | 0.78 | 0.85 | 53 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1003 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 645 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 257 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 48 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 E3W202
- Elsewhere: RCSB PDB 5ZZJ · PDBe 5ZZJ · UniProt E3W202
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