Structural highlights
5a3q is a 1 chain structure with sequence from Oryctolagus cuniculus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
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| Ligands: | , , , , , |
| NonStd Res: | |
| Related: | 5a3r, 5a3s |
| Activity: | Calcium-transporting ATPase, with EC number 3.6.3.8 |
| Resources: | FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT |
Function
[AT2A1_RABIT] This magnesium-dependent enzyme catalyzes the hydrolysis of ATP coupled with the translocation of calcium from the cytosol to the sarcoplasmic reticulum lumen. Contributes to calcium sequestration involved in muscular excitation/contraction (By similarity).
Publication Abstract from PubMed
Vanadate is the hallmark inhibitor of the P-type ATPase family; however, structural details of its inhibitory mechanism have remained unresolved. We have determined the crystal structure of sarcoplasmic reticulum Ca(2+)-ATPase with bound vanadate in the absence of Ca(2+). Vanadate is bound at the catalytic site as a planar VO3(-) in complex with water and Mg(2+) in a dephosphorylation transition-state-like conformation. Validating bound VO3(-) by anomalous difference Fourier maps using long-wavelength data we also identify a hitherto undescribed Cl(-) site near the dephosphorylation site. Crystallization was facilitated by trinitrophenyl (TNP)-derivatized nucleotides that bind with the TNP moiety occupying the binding pocket that normally accommodates the adenine of ATP, rationalizing their remarkably high affinity for E2P-like conformations of the Ca(2+)-ATPase. A comparison of the configurations of bound nucleotide analogs in the E2.VO3(-) structure with that in E2.BeF3(-) (E2P ground state analog) reveals multiple binding modes to the Ca(2+)-ATPase.
Crystal Structure of the Vanadate-Inhibited Ca(2+)-ATPase.,Clausen JD, Bublitz M, Arnou B, Olesen C, Andersen JP, Moller JV, Nissen P Structure. 2016 Apr 5;24(4):617-23. doi: 10.1016/j.str.2016.02.018. PMID:27050689[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Clausen JD, Bublitz M, Arnou B, Olesen C, Andersen JP, Moller JV, Nissen P. Crystal Structure of the Vanadate-Inhibited Ca(2+)-ATPase. Structure. 2016 Apr 5;24(4):617-23. doi: 10.1016/j.str.2016.02.018. PMID:27050689 doi:http://dx.doi.org/10.1016/j.str.2016.02.018
