MolNFT v1 · #140893 · protein
Crystal structure of marchantia paleacea chalone synthase like 1 (CHSL1)
5YPT · Stilbenecarboxylate synthase 1: “Crystal structure of marchantia paleacea chalone synthase like 1 (CHSL1)”. X-ray diffraction, 17 pockets (best druggability 0.80). MolNFT v1 #140893 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5YPT
- Type
- protein
- Length
- 2,303 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stilbenecarboxylate synthase 1
- UniProt
- Q5I6Y2
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E, F | Stilbenecarboxylate synthase 1 | protein | 384 | 41% helix, 23% strand | Q5I6Y2 |
| B | Stilbenecarboxylate synthase 1 | protein | 383 | 41% helix, 23% strand | Q5I6Y2 |
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1111 | 0.80 | 0.81 | 124 | empty |
| 2 | 1018 | 0.80 | 0.81 | 132 | empty |
| 3 | 431 | 0.78 | 0.86 | 50 | empty |
| 4 | 389 | 0.76 | 0.86 | 58 | empty |
| 5 | 374 | 0.76 | 0.86 | 53 | empty |
Interfaces
9 interfaces between chains.
- E–F · 2802 Ų buried · 61 hydrogen bonds · protein-protein
- C–D · 2766 Ų buried · 56 hydrogen bonds · protein-protein
- A–B · 2740 Ų buried · 64 hydrogen bonds · protein-protein
- B–D · 512 Ų buried · 4 hydrogen bonds · protein-protein
- C–F · 463 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5YPT · Crystal structure of Marchantia paleacea chalone synthase like 1 (CHSL1) · the same entry in another collection · chain F against F, 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 Q5I6Y2
- Elsewhere: RCSB PDB 5YPT · PDBe 5YPT · UniProt Q5I6Y2
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