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BMRB: 6043

2P80

1H, 13C and 15N resonance assignment of Cu(I)-Pseudoazurin from Alcaligenes faecalis S-6

Authors

Impagliazzo, A., Ubbink, M.

Assembly

Pseudoazurin

Entity

1. Pseudoazurin (polymer, Thiol state: all other bound), 125 monomers, 13524.52 Da Detail

ASENIEVHML NKGAEGAMVF EPAYIKANPG DTVTFIPVDK GHNVESIKDM IPEGAEKFKS KINENYVLTV TQPGAYLVKC TPHYAMGMIA LIAVGDSPAN LDQIVSAKKP KIVQERLEKV IASAK

2. CU1 (non-polymer), 63.546 Da

Total weight

13588.065 Da

Max. entity weight

13524.52 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:HIS83:ND1	2:CU11:CU
2	na	sing	1:HIS42:ND1	2:CU11:CU
3	na	sing	1:MET88:SD	2:CU11:CU
4	na	sing	1:CYS80:SG	2:CU11:CU

Source organism

Alcaligenes faecalis

Exptl. method

NMR

Refine. method

distance geometry, rigid body molecular dynamics, restrained side-chains energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 89.4 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.4 % (1285 of 1437)	88.3 % (659 of 746)	89.0 % (502 of 564)	97.6 % (124 of 127)
Backbone	97.4 % (715 of 734)	97.2 % (243 of 250)	97.5 % (358 of 367)	97.4 % (114 of 117)
Sidechain	83.4 % (684 of 820)	83.9 % (416 of 496)	82.2 % (258 of 314)	100.0 % (10 of 10)
Aromatic	60.8 % (45 of 74)	64.9 % (24 of 37)	56.8 % (21 of 37)
Methyl	98.7 % (152 of 154)	98.7 % (76 of 77)	98.7 % (76 of 77)

1. Pseudoazurin

ASENIEVHML NKGAEGAMVF EPAYIKANPG DTVTFIPVDK GHNVESIKDM IPEGAEKFKS KINENYVLTV TQPGAYLVKC TPHYAMGMIA LIAVGDSPAN LDQIVSAKKP KIVQERLEKV IASAK

Show sample condition

Sample

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	-0.015 ppm	internal	null	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: 0.08 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	-0.015 ppm	internal	null	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: 0.08 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	-0.015 ppm	internal	null	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	TSP	methyl protons	-0.015 ppm	internal	null	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
¹³C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

Referencing offset: 0.35 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2P80, Strand ID: D Detail

Release date

2004-07-28

Citation

1H, 13C and 15N resonance assignment of Cu(I)-pseudoazurin from Alcaligenes faecalis S-6
Impagliazzo, A., Ubbink, M.
J. Biomol. NMR (2004), 29, 541-542, PubMed 15243189 , DOI 10.1023/B:JNMR.0000034341.96429.c1 , Abstract

Related entities 1. Pseudoazurin, : 1 : 3 : 13 : 37 entities Detail

Experiments performed 13 experiments Detail

1 15N-HSQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

2 HNCA

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

3 HNCACB

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

4 HNCO

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

5 HNCACO

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

6 2D 15N-HSQC-TOCSY

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

7 2D 15N-HSQC-NOESY

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

8 13C-HSQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

9 H(CCO)NH

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

10 HCCH-TOCSY

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

11 13C-HSQC

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

12 HCCH

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

13 13C-HSQC-NOESY

Instrument

Model Bruker DMX (600 MHz)

Sample #1

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Pseudoazurin	[U-95% 13C; U-98% 15N]	2.0 mM
2	K-Phosphate buffer		20 mM
3	ascorbate		2 mM
4	D2O		10 %

Sample #2

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
5	Pseudoazurin	[U-98% 15N]	3.0 mM
6	K-Phosphate buffer		20 mM
7	ascorbate		2 mM
8	D2O		10 %

Sample #3

Temperature 312 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Pseudoazurin	[U-98% 15N]	2.0 mM
10	K-Phosphate buffer		20 mM
11	ascorbate		2 mM
12	D2O		100 %

nullKeywords Pseudoazurin, Copper, Alcaligenes

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Found 1 Document (1.587 seconds)

BMRB: 6043

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Pseudoazurin, : 1 : 3 : 13 : 37 entities Detail

Experiments performed 13 experiments Detail

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