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MolNFT v1 · #42813 · protein

Halothane binds to druggable sites in calcium-calmodulin: solution structure of halothane-cam N-terminal domain

2KUG: “Halothane binds to druggable sites in calcium-calmodulin: solution structure of halothane-cam N-terminal…”. Solution nmr, 2 ligands (HLT, CA). MolNFT v1 #42813 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2KUG
Type
protein
Length
76 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calmodulin
UniProt
P62158
Ligands
HLT, CA

Structure

solution nmr · 1 distinct chain · 58% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalmodulinprotein7658% helix, 3% strandP62158

Ligands and binding sites

  • HLT · 2-bromo-2-chloro-1,1,1-trifluoroethane · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 2KUG · Halothane binds to druggable sites in calcium-calmodulin: Solution Structure of… · the same entry in another collection · chain A against A, TM-score 1.00

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