MolNFT v1 · #3484 · protein
Drug binding by calmodulin: crystal structure of a calmodulin-trifluoperazine complex
1CTR: “Drug binding by calmodulin: crystal structure of a calmodulin-trifluoperazine complex”. X-ray diffraction, 2 ligands (TFP, CA), 1 pocket (best druggability 0.69). MolNFT v1 #3484 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1CTR
- Type
- protein
- Length
- 141 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin
- UniProt
- P62158
- Ligands
- TFP, CA
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 141 | 47% helix, 4% strand | P62158 |
Ligands and binding sites
- TFP · 10-[3-(4-methyl-piperazin-1-yl)-propyl]-2-trifluoromethyl-10H-phenothiazine · ligand · chains A
- CA · Calcium ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 785 | 0.69 | 0.75 | 45 | TFP |
Compared structures
- 1CTR · Drug binding by calmodulin: crystal structure of a calmodulin-trifluoperazine complex · 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
- Elsewhere: RCSB PDB 1CTR · PDBe 1CTR · UniProt P62158
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