Research workbench
Crystal structure of IP3 3-K calmodulin binding region in complex with calmodulin
Analyse Crystal structure of IP3 3-K calmodulin binding region in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UPU
- Type
- protein
- Length
- 164 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Inositol-trisphosphate 3-kinase a
- EC
- 2.7.1.127
- UniProt
- P62158, P23677
- Ligands
- CA
- Pockets
- 1 · best druggability 0.37
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 145 | 60% helix, 6% strand | P62158 |
| B | Inositol-trisphosphate 3-kinase a (EC 2.7.1.127) | protein | 19 | 47% helix, 0% strand | P23677 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.37 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1472 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4UPU · Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin · the same entry in another collection · chain A against A, TM-score 1.00
- P23677 · AlphaFold monomer V2.0 prediction for inositol-trisphosphate 3-kinase a (P23677) · a predicted model of the same protein · chain B against A, TM-score 0.51
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 P23677
- Elsewhere: RCSB PDB 4UPU · PDBe 4UPU · UniProt P62158 · UniProt P23677
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