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BMRB: 17838

2LHA

Solution structure of C2B with IP6

Authors

Joung, M., Mohan, S.K., Yu, C.

Assembly

Molecular Level Interaction of the Human Synaptotagmin I C2B domain with Inositol Hexaphosphate

Entity

1. Molecular Level Interaction of the Human Synaptotagmin I C2B domain with Inositol Hexaphosphate, entity 1 (polymer, Thiol state: not reported), 152 monomers, 17324.96 Da Detail

QEKLGDICFS LRYVPTAGKL TVVILEAKNL KKMDVGGLSD PYVKIHLMQN GKRLKKKKTT IKKNTLNPYY NESFSFEVPF EQIQKVQVVV TVLDYDKIGK NDAIGKVFVG YNSTGAELRH WSDMLANPRR PIAQWHTLQV EEEVDAMLAV KK

2. IHP (non-polymer), 660.035 Da

Total weight

17984.996 Da

Max. entity weight

17324.96 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.6 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.6 % (1681 of 1855)	94.4 % (917 of 971)	86.0 % (620 of 721)	88.3 % (144 of 163)
Backbone	97.6 % (878 of 900)	98.4 % (302 of 307)	96.6 % (432 of 447)	98.6 % (144 of 146)
Sidechain	86.2 % (946 of 1098)	92.6 % (615 of 664)	79.4 % (331 of 417)	0.0 % (0 of 17)
Aromatic	34.3 % (46 of 134)	61.2 % (41 of 67)	7.7 % (5 of 65)	0.0 % (0 of 2)
Methyl	91.8 % (169 of 184)	97.8 % (90 of 92)	85.9 % (79 of 92)

1. entity 1

QEKLGDICFS LRYVPTAGKL TVVILEAKNL KKMDVGGLSD PYVKIHLMQN GKRLKKKKTT IKKNTLNPYY NESFSFEVPF EQIQKVQVVV TVLDYDKIGK NDAIGKVFVG YNSTGAELRH WSDMLANPRR PIAQWHTLQV EEEVDAMLAV KK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details C2B (13C & 15N labeled) with unlabeled IP6

#	Name	Isotope labeling	Concentration
1	C2B domain	[U-100% 13C; U-100% 15N]	1.0 mM
2	IHP	natural abundance	1.1 mM
3	sodium chloride	natural abundance	150 mM
4	MES	natural abundance	20 mM
5	DTT	natural abundance	2 mM
6	Calcium Chloride	natural abundance	2 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	internal	indirect	1.0
¹H	TSP	methyl protons	external	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	1.0

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	internal	indirect	1.0
¹H	TSP	methyl protons	external	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	1.0

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	internal	indirect	1.0
¹H	TSP	methyl protons	external	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	1.0

Referencing offset: 0.01 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	TSP	methyl carbon	internal	indirect	1.0
¹H	TSP	methyl protons	external	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	internal	indirect	1.0

Referencing offset: 0.71 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LHA, Strand ID: A Detail

Release date

2012-04-29

Citation

Molecular level interaction of inositol hexaphosphate with the C2B domain of human synaptotagmin I
Joung, M., Mohan, S.K., Yu, C.
Biochemistry (2012), 51, 3675-3683, PubMed 22475172 , DOI 10.1021/bi300005w , Abstract

Related entities 1. Molecular Level Interaction of the Human Synaptotagmin I C2B domain with Inositol Hexaphosphate, entity 1, : 1 : 16 : 1 : 15 : 290 entities Detail

Interaction partners 1. Molecular Level Interaction of the Human Synaptotagmin I C2B domain with Inositol Hexaphosphate, entity 1, : 27 interactors Detail

More details for 27 interactors identified by 15 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC