3AR2: PDB entry 3AR2

Calcium pump crystal structure with bound AMPPCP and Ca2+. Determined by X-ray diffraction at 2.5 Å resolution. Released 2 Feb 2011.

Method: X-ray diffraction
Resolution: 2.5 Å
Organism: Oryctolagus cuniculus
Chains: 1
Atoms: 7,808
Mol. weight: 111.07 kDa
Ligands: CA, ACP, PC1
Released: 2 Feb 2011

Explore 3AR2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3AR2 contains 50 α-helices and 35 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: 50 helices, 35 β-strands

Element	Residues	Length	Sheet
α-helix	9-16	8
β-strand	24	1	1
α-helix	26-36	11
α-helix	51-54	4
α-helix	55-57	3
α-helix	60-71	12
α-helix	84-86	3
α-helix	89-120	32
α-helix	124-125	2
β-strand	126-130	5	2
β-strand	131	1	1
β-strand	138-141	4	2
α-helix	142-144	3
β-strand	150-154	5	2
β-strand	158	1	3
β-strand	163-168	6	2
β-strand	174-176	3	3
α-helix	186	1
β-strand	187-188	2	3
α-helix	201-203	3
β-strand	207-208	2	2
β-strand	213-216	4	3
β-strand	218-223	6	2
α-helix	227-229	3
α-helix	248-269	22
α-helix	292-306	15
α-helix	310-327	18
β-strand	331-333	3	4
α-helix	337-343	7
β-strand	345-351	7	4
α-helix	352-356	5
β-strand	357	1	5
β-strand	362-373	12	6
β-strand	376-384	9	6
β-strand	395-396	2	6
β-strand	401	1	6
α-helix	404-406	3
α-helix	408-419	12
β-strand	424-428	5	7
β-strand	433-437	5	7
α-helix	440-452	13
α-helix	470-476	7
β-strand	479-488	10	6
β-strand	493-500	8	6
β-strand	511-516	6	6
α-helix	518-523	6
β-strand	525-530	6	6
β-strand	533-536	4	6
α-helix	539-554	16
β-strand	560-567	8	6
α-helix	570-572	3
α-helix	573-575	3
α-helix	584-587	4
β-strand	591-600	10	6
α-helix	602	1
β-strand	603	1	5
α-helix	604	1
α-helix	605-616	12
β-strand	620-624	5	4
α-helix	629-639	11
β-strand	652-654	3	4
α-helix	655-660	6
α-helix	663-672	10
β-strand	675-677	3	4
α-helix	681-693	13
β-strand	697-702	6	4
α-helix	705-707	3
α-helix	708-713	6
β-strand	716-720	5	4
α-helix	725-729	5
β-strand	733-735	3	4
α-helix	742-781	40
α-helix	789-799	11
α-helix	802-805	4
α-helix	806-809	4
α-helix	810-813	4
α-helix	816-818	3
α-helix	820-821	2
α-helix	831-852	22
α-helix	880-882	3
α-helix	894-912	19
α-helix	931-949	19
α-helix	952-956	5
α-helix	967-974	8
α-helix	976-990	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	A	protein	995	Oryctolagus cuniculus	P04191 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>3AR2_1 Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (chains A)
XMEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFED
LLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEAL
KEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSI
LTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQM
AATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIA
VALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTN
QMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICAL
CNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLM
KKEFTLEFSRDRKSMSVYCSPAKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTG
PVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGM
LDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFD
DLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIA
MGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTA
ALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMA
IGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTM
ALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKL
KALDLTQWLMVLKISLPVIGLDEILKFIARNYLEG

Ligands and cofactors

ID	Name	Formula	Copies
CA	Calcium ion	Ca	3
ACP	Phosphomethylphosphonic acid adenylate ester	C11 H18 N5 O12 P3	1
PC1	1,2-diacyl-sn-glycero-3-phosphocholine	C44 H88 N O8 P	1

Water and common crystallization additives (NA) are not listed.

Primary citation

Trinitrophenyl derivatives bind differently from parent adenine nucleotides to Ca2+-ATPase in the absence of Ca2+. Toyoshima, C., Yonekura, S., Tsueda, J. et al. Proc Natl Acad Sci U S A (2011) 108:1833-1838. DOI 10.1073/pnas.1017659108 · PubMed

Other PDB entries of the same protein (UniProt P04191 (AlphaFold model), which also has an AlphaFold model), best resolution first:

27RD 2.0 Å, Crystal structure of SR Ca2+-ATPase in E2(TG) with bound IPP
27QZ 2.1 Å, Crystal structure of SR Ca2+-ATPase in E2(TG) with bound B1HQ
27RC 2.1 Å, Crystal structure of SR Ca2+-ATPase in E2(TG) with bound BMP
27QY 2.12 Å, Crystal structure of SR Ca2+-ATPase in E2(TG) with bound AHQ
3AR4 2.15 Å, Calcium pump crystal structure with bound ATP and TG in the absence of Ca2+
3AR7 2.15 Å, Calcium pump crystal structure with bound TNP-ATP and TG in the absence of Ca2+
27RE 2.2 Å, Crystal structure of SR Ca2+-ATPase in E2(TG) with bound MPQ
27RF 2.2 Å, Crystal structure of SR Ca2+-ATPase in E2(TG) with bound PHQ
3AR5 2.2 Å, Calcium pump crystal structure with bound TNP-AMP and TG
3AR6 2.2 Å, Calcium pump crystal structure with bound TNP-ADP and TG in the absence of calcium
3N5K 2.2 Å, Structure Of The (Sr)Ca2+-ATPase E2-AlF4- Form
1WPG 2.3 Å, Crystal structure of the SR CA2+-ATPase with MGF4

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