Research workbench
PA3825-eal ca-apo structure
Analyse PA3825-eal ca-apo structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Y8E
- Type
- protein
- Length
- 508 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PA3825 eal
- UniProt
- Q9HXH7
- Ligands
- CA
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PA3825 eal | protein | 254 | 46% helix, 22% strand | Q9HXH7 |
| B | PA3825 eal | protein | 254 | 47% helix, 22% strand | Q9HXH7 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.65 | 0.78 | 35 | CA |
| 2 | 273 | 0.62 | 0.80 | 37 | empty |
| 3 | 320 | 0.57 | 0.76 | 38 | CA |
| 4 | 329 | 0.55 | 0.75 | 35 | empty |
| 5 | 50 | 0.52 | 0.88 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 554 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4Y8E · PA3825-EAL Ca-Apo Structure · 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 Q9HXH7
- Elsewhere: RCSB PDB 4Y8E · PDBe 4Y8E · UniProt Q9HXH7
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