BMRB: 5565

Backbone 1H, 13C, and 15N Chemical Shift Assignments for porcine MSP

Authors

Wang, I., Lou, Y., Wu, K., Wu, S., Chang, W., Chen, C.

Assembly

porcine MSP

Entity

1. porcine MSP (polymer, Thiol state: all disulfide bound), 91 monomers, 10094.44 Da Detail

QCYFIPNQSL KPNECQDLKG VSHPLNSVWK TKDCEECTCG QDAISCCNTA AIPTGYDTNK CQKILNKKTC TYTVVEKKDP GKTCDVTGWV L

Formula weight

10094.44 Da

Entity Connection

disulfide 5 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS47:SG
2	disulfide	sing	1:CYS15:SG	1:CYS39:SG
3	disulfide	sing	1:CYS34:SG	1:CYS70:SG
4	disulfide	sing	1:CYS37:SG	1:CYS46:SG
5	disulfide	sing	1:CYS61:SG	1:CYS84:SG

Source organism

Sus scrofa

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.8 %, Completeness (bb): 98.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.8 % (1005 of 1038)	94.6 % (512 of 541)	99.2 % (395 of 398)	99.0 % (98 of 99)
Backbone	98.9 % (530 of 536)	97.3 % (177 of 182)	100.0 % (268 of 268)	98.8 % (85 of 86)
Sidechain	95.4 % (561 of 588)	93.3 % (335 of 359)	98.6 % (213 of 216)	100.0 % (13 of 13)
Aromatic	100.0 % (62 of 62)	100.0 % (31 of 31)	100.0 % (29 of 29)	100.0 % (2 of 2)
Methyl	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (43 of 43)

1. beta-microseminoprotein

QCYFIPNQSL KPNECQDLKG VSHPLNSVWK TKDCEECTCG QDAISCCNTA AIPTGYDTNK CQKILNKKTC TYTVVEKKDP GKTCDVTGWV L

Show sample condition

Sample

Temperature 310 (±1) K, pH 5.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	beta-microseminoprotein	[U-13C; U-15N]		1.5 mM

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LACS Plot; CA

Referencing offset: 0.98 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.98 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.23 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 1XHH, Strand ID: A Detail

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Release date

2002-10-29

Citation

Disulfide pairings and structure of porcine beta-microseminoprotein
Wang, I., Lou, Y., Wu, K., Wu, S., Chang, W., Chen, C.

Related entities 1. porcine MSP, : 1 : 1 : 1 : 21 entities Detail

Experiments performed 7 experiments Detail