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Found 1 Document (2.682 seconds)

BMRB: 6821

2AF2

Human SOD before harboring the catalytic metal: Solution structure of copper depleted, disulfide reduced form

Authors

Banci, L., Bertini, I., Cantini, F., D'Amelio, N., Gaggelli, E.

Assembly

Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)

Entity

1. Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1) (polymer, Thiol state: all free), 153 monomers, 15756.23 × 2 Da Detail

ATKAVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEF GDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLGNVTAD KDGVADVSIE DSVISLSGDH SIIGRTLVVH EKADDLGKGG NEESTKTGNA GSRLACGVIG IAQ

2. ZN (non-polymer), 65.409 × 2 Da

Total weight

31643.28 Da

Max. entity weight

15756.23 Da

Entity Connection

disulfide 6 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:HIS63:ND1	2:ZN1:ZN
2	disulfide	sing	1:HIS71:ND1	2:ZN1:ZN
3	disulfide	sing	1:HIS80:ND1	2:ZN1:ZN
4	disulfide	sing	1:HIS63:ND1	2:ZN1:ZN
5	disulfide	sing	1:HIS71:ND1	2:ZN1:ZN
6	disulfide	sing	1:HIS80:ND1	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

torsion angle dynamics, sumulated annealing, restrained energy minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.7 %, Completeness (bb): 94.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (1486 of 1621)	97.5 % (812 of 833)	82.2 % (517 of 629)	98.7 % (157 of 159)
Backbone	94.5 % (858 of 908)	98.8 % (322 of 326)	89.6 % (389 of 434)	99.3 % (147 of 148)
Sidechain	88.1 % (741 of 841)	96.6 % (490 of 507)	74.6 % (241 of 323)	90.9 % (10 of 11)
Aromatic	47.6 % (40 of 84)	85.7 % (36 of 42)	7.3 % (3 of 41)	100.0 % (1 of 1)
Methyl	92.8 % (154 of 166)	100.0 % (83 of 83)	85.5 % (71 of 83)

1. Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)

ATKAVAVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFHVHEF GDNTAGCTSA GPHFNPLSRK HGGPKDEERH VGDLGNVTAD KDGVADVSIE DSVISLSGDH SIIGRTLVVH EKADDLGKGG NEESTKTGNA GSRLACGVIG IAQ

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	carbons	null	direct	1.0
¹H	water	protons	null	direct	1.0
¹⁵N	urea	nitrogens	null	direct	1.0

Referencing offset: 2.3 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	carbons	null	direct	1.0
¹H	water	protons	null	direct	1.0
¹⁵N	urea	nitrogens	null	direct	1.0

Referencing offset: 2.3 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	carbons	null	direct	1.0
¹H	water	protons	null	direct	1.0
¹⁵N	urea	nitrogens	null	direct	1.0

Referencing offset: -0.05 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	carbons	null	direct	1.0
¹H	water	protons	null	direct	1.0
¹⁵N	urea	nitrogens	null	direct	1.0

Referencing offset: 2.85 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2AF2, Strand ID: A, B Detail

Release date

2007-01-28

Citation

Human SOD1 before harboring the catalytic metal: solution structure of copper-depleted, disulfide-reduced form
Banci, L., Bertini, I., Cantini, F., D'Amelio, N., Gaggelli, E.
J. Biol. Chem. (2006), 281, 2333-2337, PubMed 16291742 , DOI 10.1074/jbc.M506497200 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P00441 released on 1986-07-21
Title SODC_HUMAN Entity Superoxide dismutase [Cu-Zn]

Related entities 1. Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), : 1 : 4 : 2 : 88 : 154 entities Detail

Interaction partners 1. Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), : 26 interactors Detail

More details for 26 interactors identified by 11 citations

Experiments performed 11 experiments Detail

1 2D NOESY

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

2 HNHA

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

3 3D 15N-separated NOESY

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

4 3D 13C-separated NOESY

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

5 H(C)CH TOCSY

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

6 (H)CCH TOCSY

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

7 TROSY-HNCACB

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

8 TROSY-HNCA

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

9 TROSY HN(CO)CA

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

10 TROSY HNCO

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

11 TROSY HN(CA)CO

Instrument

Model Bruker AVANCE (900 MHz)

Sample #1

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
1	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-15N]	1.5 mM
2	ZINC (II) ION		1.5 mM
3	sodium phosphate		20 mM
4	DTT buffer		20 mM
5	H2O		90 %
6	D2O		10 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
7	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-13C; U-15N]	1 mM
8	ZINC (II) ION		1 mM
9	sodium phosphate		20 mM
10	DTT buffer		20 mM
11	H2O		90 %
12	D2O		10 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 5

#	Name	Isotope labeling	Concentration
13	Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1)	[U-70% 2H; U-13C; U-15N]	1 mM
14	ZINC (II) ION		1 mM
15	sodium phosphate		20 mM
16	DTT buffer		20 mM
17	H2O		90 %
18	D2O		10 %

nullKeywords copper depleted protein, disulfide bond reduced, homodimeric protein, Human superoxide dismutase, NMR, Protein Structure Initiative, PSI, solution structure, SPINE, Structural Genomics, Structural Proteomics in Europe

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Found 1 Document (2.682 seconds)

BMRB: 6821

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), : 1 : 4 : 2 : 88 : 154 entities Detail

Interaction partners 1. Superoxide dismutase [Cu-Zn] (E.C.1.15.1.1), : 26 interactors Detail

Experiments performed 11 experiments Detail

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