Research workbench
Crystal structure analysis of catalytic subunit of human calcineurin
Analyse Crystal structure analysis of catalytic subunit of human calcineurin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5C1V
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase 2B catalytic subunit alpha isoform
- EC
- 3.1.3.16
- UniProt
- Q08209
- Ligands
- FE, ZN, PO4
- Pockets
- 4 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase 2B catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 317 | 33% helix, 20% strand | Q08209 |
| B | SERINE/THREONINE-protein phosphatase 2B catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 311 | 33% helix, 16% strand | Q08209 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.50 | 0.76 | 33 | empty |
| 2 | 94 | 0.44 | 0.79 | 16 | empty |
| 3 | 129 | 0.37 | 0.73 | 25 | FE, PO4 |
| 4 | 80 | 0.33 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 867 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5C1V · Crystal structure analysis of catalytic subunit of human calcineurin · the same entry in another collection · chain A against A, TM-score 1.00
- Q08209 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2B catalytic… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q08209
- Elsewhere: RCSB PDB 5C1V · PDBe 5C1V · UniProt Q08209
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