Research workbench
Crystal structure of ALLEYCAT9 with calcium but no inhibitor
Analyse Crystal structure of ALLEYCAT9 with calcium but no inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7VUR
- Type
- protein
- Length
- 131 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alleycat
- Ligands
- CA
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alleycat | protein | 65 | 58% helix, 3% strand | — |
| B | Alleycat | protein | 66 | 61% helix, 3% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 5 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.52 | 0.83 | 14 | MPD |
| 2 | 91 | 0.49 | 0.81 | 15 | MPD |
Interfaces
1 interface between chains.
- A–B · 550 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7VUR · Crystal structure of AlleyCat9 with calcium but no inhibitor · 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 7VUR · PDBe 7VUR
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