Research workbench
Crystal structure of calcineurin in complex with the calcineurin- inhibiting domain of the african swine fever virus protein A238L
Analyse Crystal structure of calcineurin in complex with the calcineurin- inhibiting… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4F0Z
- Type
- protein
- Length
- 542 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase 2B catalytic subunit alpha isoform; Calcineurin…
- EC
- 3.1.3.16
- UniProt
- Q08209, P63098, O36972
- Ligands
- CA
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 14% 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 | 357 | 36% helix, 18% strand | Q08209 |
| B | Calcineurin subunit B type 1 (EC 3.1.3.16) | protein | 155 | 61% helix, 5% strand | P63098 |
| C | Ankyrin repeat domain-containing protein A238L | protein | 30 | 0% helix, 17% strand | O36972 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.71 | 0.83 | 44 | GOL |
| 2 | 144 | 0.47 | 0.77 | 20 | empty |
| 3 | 114 | 0.41 | 0.76 | 18 | empty |
| 4 | 94 | 0.36 | 0.74 | 25 | GOL |
| 5 | 50 | 0.30 | 0.77 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1945 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 1188 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 488 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4F0Z · Crystal Structure of Calcineurin in Complex with the Calcineurin-Inhibiting Domain of the… · 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 0.97
- P63098 · AlphaFold monomer V2.0 prediction for calcineurin subunit B type 1 (P63098) · a predicted model of the same protein · chain B against A, TM-score 0.96
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
- Every structure of UniProt P63098
- Every structure of UniProt O36972
- Elsewhere: RCSB PDB 4F0Z · PDBe 4F0Z · UniProt Q08209 · UniProt P63098 · UniProt O36972
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