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BMRB: 16794

2KVS

NMR Solution Structure of Q7A1E8 protein from Staphylococcus aureus: Northeast Structural Genomics Consortium target: ZR215

Authors

Swapna, G., Montelione, A.F., Wang, D., Ciccosanti, C., Janjua, H., Xiao, R., Acton, T.B., Rost, B., Everett, J., Montelione, G.T.

Assembly

ZR215

Entity

1. ZR215 (polymer, Thiol state: not present), 80 monomers, 9438.444 Da Detail

MAGDPMTFYN FIMGFQNDNT PFGILAEHVS EDKAFPRLEE RHQVIRAYVM SNYTDHQLIE TTNRAISLYM ANLEHHHHHH

Formula weight

9438.444 Da

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 81.4 %, Completeness (bb): 78.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.4 % (772 of 948)	88.8 % (434 of 489)	69.4 % (259 of 373)	91.9 % (79 of 86)
Backbone	78.5 % (372 of 474)	93.1 % (149 of 160)	64.6 % (153 of 237)	90.9 % (70 of 77)
Sidechain	86.0 % (474 of 551)	86.9 % (286 of 329)	84.0 % (179 of 213)	100.0 % (9 of 9)
Aromatic	63.6 % (75 of 118)	67.8 % (40 of 59)	59.3 % (35 of 59)
Methyl	98.6 % (73 of 74)	97.3 % (36 of 37)	100.0 % (37 of 37)

1. ZR215

MAGDPMTFYN FIMGFQNDNT PFGILAEHVS EDKAFPRLEE RHQVIRAYVM SNYTDHQLIE TTNRAISLYM ANLEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	ZR215	[U-100% 13C; U-100% 15N]		0.71 mM
2	NaCl	natural abundance		100 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	protons	external	indirect	0.2514495
¹H	DSS	protons	external	direct	1.0
¹⁵N	DSS	protons	external	indirect	0.1013291

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	protons	external	indirect	0.2514495
¹H	DSS	protons	external	direct	1.0
¹⁵N	DSS	protons	external	indirect	0.1013291

Referencing offset: -0.37 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	protons	external	indirect	0.2514495
¹H	DSS	protons	external	direct	1.0
¹⁵N	DSS	protons	external	indirect	0.1013291

Referencing offset: 0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Coupling constant

59 J values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 293 K, pH 7.5 Detail

Release date

2010-03-28

Citation

NMR solution structure of Q7A1E8 protein from Staphylococcus aureus, Northeast Structural Genomics Consortium target: ZR215
Swapna, G., Montelione, A.F., Wang, D., Ciccosanti, C., Janjua, H., Xiao, R., Acton, T.B., Rost, B., Everett, J., Montelione, G.T.
Not known

Related entities 1. ZR215, : 1 : 1 : 4 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC