1QIW: Calmodulin

Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-propylenediamine (DPD). Determined by X-ray diffraction at 2.3 Å resolution. Released 28 Mar 2000.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: BOS TAURUS
Chains: 2
Atoms: 2,324
Mol. weight: 35.31 kDa
Ligands: CA, DPD
Released: 28 Mar 2000

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

Secondary structure: helices and β-sheets

1QIW contains 16 α-helices and 8 β-strands across 2 chains. 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	6-16	11
β-strand	27	1	1
α-helix	29-38	10
α-helix	45-53	9
β-strand	63	1	1
α-helix	65-72	8
α-helix	82-92	11
β-strand	99-100	2	2
α-helix	102-111	10
α-helix	118-128	11
β-strand	136-137	2	2
α-helix	138-145	8

Chain B: 8 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	10-19	10
β-strand	26-27	2	3
α-helix	29-38	10
α-helix	45-53	9
β-strand	63-64	2	3
α-helix	65-73	9
α-helix	83-92	10
β-strand	99-100	2	4
α-helix	102-111	10
α-helix	118-128	11
β-strand	136-137	2	4
α-helix	138-145	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Calmodulin	A, B	protein	148	BOS TAURUS	P62157 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>1QIW_1 CALMODULIN (chains A, B)
ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEEFVQMMTAK

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	8
DPD	N-(3,3,-diphenylpropyl)-N'-[1-R-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine	C34 H48 N2 O2	3

Primary citation

A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies. Harmat, V., Bocskei, Z.S., Naray-Szabo, G. et al. J Mol Biol (2000) 297:747. DOI 10.1006/JMBI.2000.3607 · 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)
1XA5 2.12 Å, Structure of Calmodulin in complex with KAR-2, a bis-indol alkaloid
2F2O 2.17 Å, Structure of calmodulin bound to a calcineurin peptide: a new way of making an old…
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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