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BMRB: 7376

2M30

Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states

Authors

Arunkumar, A.I., Pennella, M.A., Kong, X., David, G.P.

Assembly

CzrA

Entity

1. CzrA Chain (polymer, Thiol state: not present), 106 monomers, 11972.55 × 2 Da Detail

MAEQYSEINT DTLERVTEIF KALGDYNRIR IMELLSVSEA SVGHISHQLN LSQSNVSHQL KLLKSVHLVK AKRQGQSMIY SLDDIHVATM LKQAIHHANH PKESGL

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

24075.918 Da

Max. entity weight

11972.55 Da

Entity Connection

na 10 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:ASP84:OD1	2:ZN1:ZN
2	na	sing	1:ASP84:OD2	2:ZN1:ZN
3	na	sing	1:HIS86:ND1	2:ZN1:ZN
4	na	sing	1:HIS97:ND1	2:ZN1:ZN
5	na	sing	1:HIS100:NE2	2:ZN1:ZN
6	na	sing	1:ASP84:OD1	2:ZN1:ZN
7	na	sing	1:ASP84:OD2	2:ZN1:ZN
8	na	sing	1:HIS86:ND1	2:ZN1:ZN
9	na	sing	1:HIS97:ND1	2:ZN1:ZN
10	na	sing	1:HIS100:NE2	2:ZN1:ZN

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Refine. method

molecular dynamics and quantum mechanical molecular mechanical molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 53.6 %, Completeness (bb): 80.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	53.6 % (666 of 1243)	31.0 % (200 of 645)	73.6 % (354 of 481)	95.7 % (112 of 117)
Backbone	80.9 % (513 of 634)	51.6 % (111 of 215)	95.2 % (299 of 314)	98.1 % (103 of 105)
Sidechain	35.0 % (249 of 711)	20.7 % (89 of 430)	56.1 % (151 of 269)	75.0 % (9 of 12)
Aromatic	6.1 % (4 of 66)	12.1 % (4 of 33)	0.0 % (0 of 33)
Methyl	79.9 % (107 of 134)	74.6 % (50 of 67)	85.1 % (57 of 67)

1. CzrA Chain

MAEQYSEINT DTLERVTEIF KALGDYNRIR IMELLSVSEA SVGHISHQLN LSQSNVSHQL KLLKSVHLVK AKRQGQSMIY SLDDIHVATM LKQAIHHANH PKESGL

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
5	CzrA	[U-2H; U-15N]; [U-13C]-Ile,Leu,Val-methyl	2 (±0.1) mM
6	Zinc ion	natural abundance	2.4 mM
7	MES	[U-100% 2H]	10 (±0.5) mM
8	sodium chloride	natural abundance	50 (±1.0) mM

LACS Plot; CA

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

Referencing offset: 0.4 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.4 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.35 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2M30, Strand ID: A, B Detail

Release date

2007-03-18

Citation

Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states
Arunkumar, A.I., Pennella, M.A., Kong, X., Giedroc, D.P.
Biomol. NMR Assign. (2007), 1, 99-101, PubMed 19636838 , DOI 10.1007/s12104-007-9027-y , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 7377 released on 2007-08-22
    Title Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states
  BMRB: 15177 released on 2007-08-21
    Title Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states

Related entities 1. CzrA Chain, : 1 : 2 : 4 : 26 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N TROSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

2 2D 1H-13C HMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

5 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

6 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

7 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

8 2D 1H-15N IPAP-HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

9 3D 1H-15N NOESY-TROSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 (±2) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	CzrA	[U-100% 13C; U-100% 15N]	2 (±0.1) mM
2	Zinc ion	natural abundance	2.4 mM
3	MES	[U-100% 2H]	10 (±0.5) mM
4	sodium chloride	natural abundance	50 (±1.0) mM

nullKeywords NMR

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Found 1 Document (1.595 seconds)

BMRB: 7376

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. CzrA Chain, : 1 : 2 : 4 : 26 entities Detail

Experiments performed 9 experiments Detail

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