Research workbench
Crystal structure of the rat calcineurin
Analyse Crystal structure of the rat calcineurin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IL1
- Type
- protein
- Length
- 2,114 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin, calcineurin subunit B type 1, SERINE/THREONINE- protein phosphatase 2B…
- EC
- 3.1.3.16
- UniProt
- P62161, P63100, P63329
- Ligands
- CA
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin, calcineurin subunit B type 1, SERINE/THREONINE- protein phosphatase 2B catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 529 | 41% helix, 13% strand | P62161, P63100, P63329 |
| B | Calmodulin, calcineurin subunit B type 1, SERINE/THREONINE- protein phosphatase 2B catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 528 | 43% helix, 13% strand | P62161, P63100, P63329 |
| C | Calmodulin, calcineurin subunit B type 1, SERINE/THREONINE- protein phosphatase 2B catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 529 | 42% helix, 14% strand | P62161, P63100, P63329 |
| D | Calmodulin, calcineurin subunit B type 1, SERINE/THREONINE- protein phosphatase 2B catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 528 | 42% helix, 14% strand | P62161, P63100, P63329 |
Ligands and binding sites
- CA · Calcium ion · metal · 16 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.68 | 0.78 | 55 | empty |
| 2 | 479 | 0.64 | 0.77 | 67 | empty |
| 3 | 51 | 0.62 | 0.94 | 14 | empty |
| 4 | 221 | 0.54 | 0.78 | 26 | empty |
| 5 | 253 | 0.54 | 0.76 | 23 | empty |
Interfaces
4 interfaces between chains.
- B–D · 815 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 756 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 690 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 421 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4IL1 · Crystal Structure of the Rat Calcineurin · the same entry in another collection · chain A against A, TM-score 1.00
- P63329 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2B catalytic… · a predicted model of the same protein · chain B against A, TM-score 0.70
- P63100 · AlphaFold monomer V2.0 prediction for calcineurin subunit B type 1 (P63100) · a predicted model of the same protein · chain D against A, TM-score 0.29
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 P62161
- Every structure of UniProt P63100
- Every structure of UniProt P63329
- Elsewhere: RCSB PDB 4IL1 · PDBe 4IL1 · UniProt P62161 · UniProt P63100 · UniProt P63329
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