MolNFT v1 · #78362 · protein
Caclcium-bound ac-asp-7
3S6U: “Caclcium-bound ac-asp-7”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.64). MolNFT v1 #78362 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3S6U
- Type
- protein
- Length
- 352 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ac-asp-7
- Ligands
- CA
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ac-asp-7 | protein | 173 | 33% helix, 21% strand | — |
| B | Ac-asp-7 | protein | 179 | 32% helix, 20% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 453 | 0.64 | 0.77 | 51 | empty |
| 2 | 63 | 0.30 | 0.74 | 11 | empty |
| 3 | 52 | 0.25 | 0.72 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 448 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3S6U · Caclcium-bound Ac-ASP-7 · 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
- Elsewhere: RCSB PDB 3S6U · PDBe 3S6U
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