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BMRB: 18636

2N0M

1H, 13C and 15N resonance assignment of the soluble form of the Lipid-modified Azurin from Neisseria gonorrhoeae

Authors

Pauleta, S.R., Matzapetakis, M., Nobrega, C.S.

Assembly

MS1

Entity

1. MS1 (polymer, Thiol state: free and disulfide bound), 130 monomers, 13633.16 Da Detail

ATAGNCAATV ESNDNMQFNT KDIQVSKACK EFTITLKHTG TQPKASMGHN LVIAKAEDMD GVFKDGVGAA DTDYVKPDDA RVVAHTKLIG GGEESSLTLD PAKLADGDYK FACTFPGHGA LMNGKVTLVD

Formula weight

13633.16 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS29:SG

Source organism

Neisseria gonorrhoeae

Exptl. method

solution NMR

Refine. method

Simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.3 %, Completeness (bb): 99.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.3 % (1372 of 1396)	98.7 % (704 of 713)	97.6 % (535 of 548)	98.5 % (133 of 135)
Backbone	99.4 % (767 of 772)	98.9 % (266 of 269)	100.0 % (377 of 377)	98.4 % (124 of 126)
Sidechain	97.4 % (722 of 741)	98.6 % (438 of 444)	95.5 % (275 of 288)	100.0 % (9 of 9)
Aromatic	78.0 % (64 of 82)	87.8 % (36 of 41)	68.3 % (28 of 41)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. Laz

ATAGNCAATV ESNDNMQFNT KDIQVSKACK EFTITLKHTG TQPKASMGHN LVIAKAEDMD GVFKDGVGAA DTDYVKPDDA RVVAHTKLIG GGEESSLTLD PAKLADGDYK FACTFPGHGA LMNGKVTLVD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 7.000

#	Name	Isotope labeling	Concentration
1	Laz	[U-98% 13C; U-98% 15N]	1.5 mM
2	Phosphate	natural abundance	20.0 mM
3	Azide	natural abundance	1.0 mM
4	Ascorbate	natural abundance	5.0 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 7.000

#	Name	Isotope labeling	Concentration
7	Laz	[U-98% 15N]	1.0 mM
8	Phosphate	natural abundance	20 mM
9	Azide	natural abundance	1 mM
10	Ascorbate	natural abundance	5 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	protons	4.7 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.36 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	protons	4.7 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.36 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	protons	4.7 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	HDO	protons	4.7 ppm	internal	indirect	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.45 ppm, Outliers: 5 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2N0M, Strand ID: A Detail

Release date

2012-10-17

Citation

¹H, ¹³C and ¹⁵N resonance assignment of the soluble form of the lipid-modified Azurin from Neisseria gonorrhoeae
Nobrega, C.S., Matzapetakis, M., Pauleta, S.R.
Biomol. NMR Assign. (2013), 7, 311-314, PubMed 23070845 , DOI 10.1007/s12104-012-9434-6 , Abstract

Related entities 1. MS1, : 1 : 3 : 119 entities Detail

Experiments performed 11 experiments Detail

1 15N HSQC