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Drug binding by calmodulin: crystal structure of a calmodulin-trifluoperazine complex

Analyse Drug binding by calmodulin: crystal structure of a calmodulin-trifluoperazine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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.

Pocket	Volume (Å³)	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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