MolNFT v1 · #104263 · protein
Crystal structure of the plectin 1A actin-binding DOMAIN/N-terminal domain of calmodulin complex
4Q57: “Crystal structure of the plectin 1A actin-binding DOMAIN/N-terminal domain of calmodulin complex”. X-ray diffraction, 3 ligands (CA, MG, CL), 1 pocket (best druggability 0.46). MolNFT v1 #104263 on GenesisL1: 3D structure, binding…
- PDB
- 4Q57
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Plectin
- UniProt
- P62158, Q9QXS1
- Ligands
- CA, MG, CL
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 65 | 60% helix, 6% strand | P62158 |
| B | Plectin | protein | 244 | 63% helix, 0% strand | Q9QXS1 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · chains B
- CL · Chloride ion · ion · chains B
- EDO · 1,2-ethanediol · additive · 3 copies · chains B
- GOL · Glycerol · additive · chains B
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 | 184 | 0.46 | 0.75 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 709 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4Q57 · Crystal structure of the plectin 1a actin-binding domain/N-terminal domain of calmodulin… · 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 Q9QXS1
- Elsewhere: RCSB PDB 4Q57 · PDBe 4Q57 · UniProt P62158 · UniProt Q9QXS1
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