1XA5: Calmodulin

Structure of Calmodulin in complex with KAR-2, a bis-indol alkaloid. Determined by X-ray diffraction at 2.12 Å resolution. Released 21 Dec 2004.

Method: X-ray diffraction
Resolution: 2.12 Å
Organism: Bos taurus
Chains: 1
Atoms: 1,209
Mol. weight: 17.71 kDa
Ligands: KAR, CA
Released: 21 Dec 2004

Explore 1XA5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1XA5 contains 8 α-helices and 4 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 8 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	6-19	14
β-strand	27	1	1
α-helix	29-38	10
α-helix	45-53	9
β-strand	63	1	1
α-helix	65-73	9
α-helix	82-92	11
β-strand	100	1	2
α-helix	102-112	11
α-helix	118-128	11
β-strand	136	1	2
α-helix	138-145	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Calmodulin	A	protein	148	Bos taurus	P62157 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>1XA5_1 Calmodulin (chains A)
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEEFVQMMTAK

Ligands and cofactors

ID	Name	Formula	Copies
KAR	3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblasti…	C46 H56 Cl N5 O7	1
CA	Calcium ion	Ca	4

Primary citation

The structure of the complex of calmodulin with KAR-2: a novel mode of binding explains the unique pharmacology of the drug. Horvath, I., Harmat, V., Perczel, A. et al. J Biol Chem (2005) 280:8266-8274. DOI 10.1074/jbc.M410353200 · PubMed

Other PDB entries of the same protein (UniProt P62157 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3IF7 1.6 Å, Structure of Calmodulin complexed with its first endogenous inhibitor,…
1FW4 1.7 Å, Crystal structure of E. Coli fragment TR2C from calmodulin to 1.7 a resolution
1PRW 1.7 Å, Crystal structure of bovine brain Ca++ calmodulin in a compact form
1CDM 2.0 Å, Modulation of calmodulin plasticity in molecular recognition on the basis of X-ray…
1CM1 2.0 Å, Motions of calmodulin-single-conformer refinement
1CM4 2.0 Å, Motions of calmodulin-four-conformer refinement
1LIN 2.0 Å, Calmodulin complexed with trifluoperazine (1:4 complex)
2F2O 2.17 Å, Structure of calmodulin bound to a calcineurin peptide: a new way of making an old…
1QIW 2.3 Å, Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-p…
2FOT 2.45 Å, Crystal structure of the complex between calmodulin and alphaII-spectrin
2F2P 2.6 Å, Structure of calmodulin bound to a calcineurin peptide: a new way of making an old…
1QIV 2.64 Å, Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-p…

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