MolNFT v1 · #104283 · protein
Structure of calmodulin bound to its recognition site from calcineurin
4Q5U: “Structure of calmodulin bound to its recognition site from calcineurin”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.43). MolNFT v1 #104283 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q5U
- Type
- protein
- Length
- 169 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; SERINE/THREONINE-protein phosphatase 2B catalytic subunit alpha isoform
- UniProt
- P62158, Q08209
- Ligands
- CA
- Pockets
- 3 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 145 | 60% helix, 6% strand | P62158 |
| C | SERINE/THREONINE-protein phosphatase 2B catalytic subunit alpha isoform | protein | 24 | 88% helix, 0% strand | Q08209 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.43 | 0.78 | 17 | empty |
| 2 | 52 | 0.40 | 0.82 | 14 | empty |
| 3 | 94 | 0.36 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–C · 1533 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4Q5U · Structure of calmodulin bound to its recognition site from 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 C against A, TM-score 0.75
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 P62158
- Every structure of UniProt Q08209
- Elsewhere: RCSB PDB 4Q5U · PDBe 4Q5U · UniProt P62158 · UniProt Q08209
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