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BMRB: 18169

2LNK

Solution structure of Ca-bound S100A4 in complex with non-muscle myosin IIA

Authors

Barsukov, I.L., Elliott, P.R.

Assembly

Ca-bound S100A4 in complex with non-muscle myosin IIA

Entity

1. Ca-bound S100A4 in complex with non-muscle myosin IIA, entity 1 (polymer, Thiol state: not present), 39 monomers, 4501.069 Da Detail

QRELEDATET ADAMNREVSS LKNKLRRGDL PFVVPRRMA

2. Ca-bound S100A4 in complex with non-muscle myosin IIA, entity 2 (polymer, Thiol state: all free), 101 monomers, 11728.40 × 2 Da Detail

MACPLEKALD VMVSTFHKYS GKEGDKFKLN KSELKELLTR ELPSFLGKRT DEAAFQKLMS NLDSNRDNEV DFQEYCVFLS CIAMMCNEFF EGFPDKQPRK K

3. CA (non-polymer), 40.078 Da

Total weight

27997.947 Da

Max. entity weight

11728.4 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 74.3 %, Completeness: 72.7 %, Completeness (bb): 73.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.7 % (1225 of 1685)	72.6 % (648 of 892)	72.8 % (472 of 648)	72.4 % (105 of 145)
Backbone	73.6 % (609 of 828)	74.2 % (207 of 279)	73.0 % (303 of 415)	73.9 % (99 of 134)
Sidechain	71.2 % (706 of 992)	71.0 % (435 of 613)	72.0 % (265 of 368)	54.5 % (6 of 11)
Aromatic	75.0 % (90 of 120)	75.0 % (45 of 60)	75.0 % (45 of 60)
Methyl	70.0 % (84 of 120)	70.0 % (42 of 60)	70.0 % (42 of 60)

1. entity 1

QRELEDATET ADAMNREVSS LKNKLRRGDL PFVVPRRMA

2. entity 2

MACPLEKALD VMVSTFHKYS GKEGDKFKLN KSELKELLTR ELPSFLGKRT DEAAFQKLMS NLDSNRDNEV DFQEYCVFLS CIAMMCNEFF EGFPDKQPRK K

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 6.1

#	Name	Isotope labeling	Concentration
1	entity_1	natural abundance	0.5 mM
2	entity_2	[U-100% 13C; U-100% 15N]	1 mM
3	CALCIUM ION	natural abundance	5 mM
4	MES	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Chem. Shift Complete2

Sequence coverage: 97.1 %, Completeness: 77.8 %, Completeness (bb): 77.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	77.8 % (2621 of 3370)	82.2 % (1466 of 1784)	72.8 % (943 of 1296)	73.1 % (212 of 290)
Backbone	77.1 % (1277 of 1656)	84.8 % (473 of 558)	72.9 % (605 of 830)	74.3 % (199 of 268)
Sidechain	77.2 % (1531 of 1984)	80.5 % (987 of 1226)	72.1 % (531 of 736)	59.1 % (13 of 22)
Aromatic	78.8 % (189 of 240)	80.8 % (97 of 120)	76.7 % (92 of 120)
Methyl	77.9 % (187 of 240)	85.0 % (102 of 120)	70.8 % (85 of 120)

1. entity 1

QRELEDATET ADAMNREVSS LKNKLRRGDL PFVVPRRMA

2. entity 2

MACPLEKALD VMVSTFHKYS GKEGDKFKLN KSELKELLTR ELPSFLGKRT DEAAFQKLMS NLDSNRDNEV DFQEYCVFLS CIAMMCNEFF EGFPDKQPRK K

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 6.1

#	Name	Isotope labeling	Concentration
1	entity_1	natural abundance	0.5 mM
2	entity_2	[U-100% 13C; U-100% 15N]	1 mM
3	CALCIUM ION	natural abundance	5 mM
4	MES	natural abundance	20 mM
5	sodium chloride	natural abundance	20 mM
6	TCEP	natural abundance	4 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2LNK, Strand ID: A, B, C Detail

Release date

2012-04-22

Citation

Asymmetric mode of Ca²⁺-S100A4 interaction with nonmuscle myosin IIA generates nanomolar affinity required for filament remodeling
Elliott, P.R., Irvine, A.F., Jung, H.SUK., Tozawa, K., Pastok, M.W., Picone, R., Badyal, S.K., Basran, J., Rudland, P.S., Barraclough, R., Lian, L., Bagshaw, C.R., Kriajevska, M., Barsukov, I.L.
Structure (2012), 20, 654-666, PubMed 22483112 , DOI 10.1016/j.str.2012.02.002 , Abstract

Related entities 1. Ca-bound S100A4 in complex with non-muscle myosin IIA, entity 1, : 2 : 1 : 25 entities Detail

Related entities 2. Ca-bound S100A4 in complex with non-muscle myosin IIA, entity 2, : 1 : 62 entities Detail

Interaction partners 1. Ca-bound S100A4 in complex with non-muscle myosin IIA, entity 1, : 107 interactors Detail

More details for 107 interactors identified by 51 citations

Experiments performed 9 experiments Detail

1 3D 1H-13C NOESY aliphatic