Research workbench
Crystal structure of calcium-loaded calmodulin in complex with STRA6 CAMBP2-site peptide.
Analyse Crystal structure of calcium-loaded calmodulin in complex with STRA6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5K8Q
- Type
- protein
- Length
- 169 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; ZGC:136689
- UniProt
- P62158, Q1ECX5
- Ligands
- CA, NH2
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 143 | 59% helix, 3% strand | P62158 |
| B | ZGC:136689 | protein | 26 | 73% helix, 0% strand | Q1ECX5 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A
- NH2 · Amino group · ion · chains B
- IMD · Imidazole · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.56 | 0.78 | 22 | empty |
| 2 | 79 | 0.33 | 0.74 | 22 | IMD |
Interfaces
1 interface between chains.
- A–B · 1589 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5K8Q · Crystal Structure of Calcium-loaded Calmodulin in complex with STRA6 CaMBP2-site peptide. · the same entry in another collection · chain A against A, TM-score 1.00
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 Q1ECX5
- Elsewhere: RCSB PDB 5K8Q · PDBe 5K8Q · UniProt P62158 · UniProt Q1ECX5
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