Small Angle Scattering Biological Data Bank SASBDB

SASDUT4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with PIPA (ii)

Calcium/calmodulin-dependent protein kinase type II subunit alpha2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid experimental SAS data

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha dodecamer, 186 kDa Homo sapiens protein 2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 200 µM PIPA, pH: 6
Experiment:	SAXS data collected at Xenocs BioXolver L with MetalJet, University of Copenhagen, Department of Drug Design and Pharmacology on 2023 May 30

Ligand‐induced CaMKIIα hub Trp403 flip, hub domain stacking, and modulation of kinase activity Protein Science 33(10) (2024)
Narayanan D, Larsen A, Gauger S, Adafia R, Hammershøi R, Hamborg L, Bruus‐Jensen J, Griem‐Krey N, Gee C, Frølund B, Stratton M, Kuriyan J, Kastrup J, Langkilde A, Wellendorph P, Solbak S

R_g^Guinier	5.5	nm
D_max	27.0	nm

SASDUU4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with PIPA (ii-remeasured after storage)

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha dodecamer, 186 kDa Homo sapiens protein 2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 200 µM PIPA, pH: 6
Experiment:	SAXS data collected at Xenocs BioXolver L with MetalJet, University of Copenhagen, Department of Drug Design and Pharmacology on 2023 May 31

R_g^Guinier	8.8	nm
D_max	37.0	nm

SASDUV4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with PIPA (iii)

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha dodecamer, 186 kDa Homo sapiens protein 2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 200 µM PIPA, pH: 6
Experiment:	SAXS data collected at Xenocs BioXolver L with MetalJet, University of Copenhagen, Department of Drug Design and Pharmacology on 2023 May 30

R_g^Guinier	4.5	nm
D_max	17.0	nm
Volume^Porod	556	nm³

SASDUW4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with PIPA (iv)

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha dodecamer, 186 kDa Homo sapiens protein 2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 200 µM PIPA, pH: 6
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2023 Mar 17

R_g^Guinier	15.6	nm
D_max	90.0	nm

SASDUX4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with 5-HDC

Calcium/calmodulin-dependent protein kinase type II subunit alpha5-hydroxydiclofenac experimental SAS data

Calcium/calmodulin-dependent protein kinase type II subunit alpha 5-hydroxydiclofenac Kratky plot

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha dodecamer, 186 kDa Homo sapiens protein 5-hydroxydiclofenac monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 100 µM 5-HDC, pH: 6
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2022 Oct 3

R_g^Guinier	4.5	nm
D_max	17.5	nm
Volume^Porod	372	nm³

SASDUY4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) WT hub domain with HOCPCA

Calcium/calmodulin-dependent protein kinase type II subunit alpha3-hydroxycyclopent-1-enecarboxylic acid experimental SAS data

Calcium/calmodulin-dependent protein kinase type II subunit alpha 3-hydroxycyclopent-1-enecarboxylic acid Kratky plot

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha dodecamer, 186 kDa Homo sapiens protein 3-hydroxycyclopent-1-enecarboxylic acid monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 1 mM HOCPCA, pH: 6
Experiment:	SAXS data collected at Xenocs BioXolver L with MetalJet, University of Copenhagen, Department of Drug Design and Pharmacology on 2020 Nov 19

R_g^Guinier	4.1	nm
D_max	12.7	nm
Volume^Porod	310	nm³

SASDUZ4 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) W403L hub domain

Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) experimental SAS data

Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) Kratky plot

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) dodecamer, 185 kDa Homo sapiens protein
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, pH: 6
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2023 Mar 17

R_g^Guinier	4.7	nm
D_max	16.5	nm
Volume^Porod	358	nm³

SASDU25 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) W403L hub domain with PIPA

Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L)2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid experimental SAS data

Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) 2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid Kratky plot

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) dodecamer, 185 kDa Homo sapiens protein 2-(6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-yl)acetic acid monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 200 µM PIPA, pH: 6
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2023 Mar 17

R_g^Guinier	4.4	nm
D_max	15.0	nm
Volume^Porod	334	nm³

SASDU35 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) W403L hub domain with 5-HDC

Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L)5-hydroxydiclofenac experimental SAS data

Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) 5-hydroxydiclofenac Kratky plot

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha (W403L) dodecamer, 185 kDa Homo sapiens protein 5-hydroxydiclofenac monomer, 0 kDa
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, 100 µM 5-HDC, pH: 6
Experiment:	SAXS data collected at Xenocs BioXolver L, Département de Biochimie, Université de Montréal on 2022 Dec 15

R_g^Guinier	4.4	nm
D_max	15.0	nm
Volume^Porod	335	nm³

SASDU45 – Calcium/calmodulin-dependent protein kinase type II alpha (CaMKIIα) 6x hub domain

Calcium/calmodulin-dependent protein kinase type II subunit alpha (T354N, E355Q, T412N, I414M, I464H, F467M) experimental SAS data

Sample:	Calcium/calmodulin-dependent protein kinase type II subunit alpha (T354N, E355Q, T412N, I414M, I464H, F467M) 14-mer, 217 kDa Homo sapiens protein
Buffer:	20 mM MES, 150 mM NaCl, 1 mM DTT, pH: 6
Experiment:	SAXS data collected at EMBL P12, PETRA III on 2022 Oct 3

R_g^Guinier	4.7	nm
D_max	18.0	nm
Volume^Porod	329	nm³

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