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BMRB: 25643

2N3E

Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster

Authors

Schaal, D., Schwarzinger, S., Bauer, J., Roesch, P., Scheibel, T., Schweimer, K.

Assembly

Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster

Entity

1. Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster (polymer, Thiol state: not present), 137 monomers, 14006.43 Da Detail

GMGQANTPWS SKANADAFIN SFISAASNTG SFSQDQMENM SLIGNTLMAA MDNMGGRITP SKLQALDMAF ASSVAQIAAS QGGDLGVTTN AIADALTSAF YQTTGVVNSR FISEIRSLIG MFAQASANDV YASAGSG

Formula weight

14006.43 Da

Source organism

Latrodectus hesperus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 80.6 %, Completeness (bb): 82.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.6 % (1157 of 1436)	85.7 % (623 of 727)	72.3 % (401 of 555)	86.4 % (133 of 154)
Backbone	82.2 % (672 of 818)	93.7 % (267 of 285)	68.6 % (273 of 398)	97.8 % (132 of 135)
Sidechain	80.6 % (598 of 742)	80.5 % (356 of 442)	85.8 % (241 of 281)	5.3 % (1 of 19)
Aromatic	98.0 % (96 of 98)	98.0 % (48 of 49)	100.0 % (48 of 48)	0.0 % (0 of 1)
Methyl	89.2 % (132 of 148)	89.2 % (66 of 74)	89.2 % (66 of 74)

1. entity

GMGQANTPWS SKANADAFIN SFISAASNTG SFSQDQMENM SLIGNTLMAA MDNMGGRITP SKLQALDMAF ASSVAQIAAS QGGDLGVTTN AIADALTSAF YQTTGVVNSR FISEIRSLIG MFAQASANDV YASAGSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	NRN1-3*	[U-95% 13C; U-90% 15N]	600 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	na	indirect	1.0
¹H	water	protons	4.7 ppm	na	indirect	1.0
¹⁵N	water	protons	4.7 ppm	na	indirect	1.0

Referencing offset: -0.33 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	na	indirect	1.0
¹H	water	protons	4.7 ppm	na	indirect	1.0
¹⁵N	water	protons	4.7 ppm	na	indirect	1.0

Referencing offset: -0.33 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	na	indirect	1.0
¹H	water	protons	4.7 ppm	na	indirect	1.0
¹⁵N	water	protons	4.7 ppm	na	indirect	1.0

Referencing offset: 0.08 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N3E, Strand ID: A Detail

Release date

2016-05-30

Citation

Solution structure of the amino-terminal domain of major spider silk amplulate with neutralized charge cluster
Schaal, D., Schwarzinger, S., Bauer, J., Scheibel, T., Schweimer, K.
Not known

Related entities 1. Amino-terminal domain of Latrodectus hesperus MaSp1 with neutralized acidic cluster, : 1 : 21 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC