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Found 1 Document (1.155 seconds)

BMRB: 11502

2RSQ

Copper(I) loaded form of the first domain of the human copper chaperone for SOD1, CCS

Authors

Banci, L., Bertini, I., Cantini, F., Kozyreva, T., Rubino, J.T.

Assembly

Cu(I) bound D1CCS

Entity

1. D1CCS (polymer, Thiol state: all free), 89 monomers, 9366.491 Da Detail

GSFTMASDSG NQGTLCTLEF AVQMTCQSCV DAVRKSLQGV AGVQDVEVHL EDQMVLVHTT LPSQEVQALL EGTGRQAVLK GMGSGQLQN

2. Cu(I) bound D1CCS, entity CU1 (non-polymer), 63.546 Da

Total weight

9430.037 Da

Max. entity weight

9366.491 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 92.2 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.2 % (882 of 957)	91.8 % (450 of 490)	92.1 % (337 of 366)	94.1 % (95 of 101)
Backbone	95.5 % (508 of 532)	94.1 % (176 of 187)	96.1 % (247 of 257)	96.6 % (85 of 88)
Sidechain	89.5 % (451 of 504)	90.4 % (274 of 303)	88.8 % (167 of 188)	76.9 % (10 of 13)
Aromatic	28.6 % (8 of 28)	57.1 % (8 of 14)	0.0 % (0 of 14)
Methyl	94.5 % (104 of 110)	94.5 % (52 of 55)	94.5 % (52 of 55)

1. D1CCS

GSFTMASDSG NQGTLCTLEF AVQMTCQSCV DAVRKSLQGV AGVQDVEVHL EDQMVLVHTT LPSQEVQALL EGTGRQAVLK GMGSGQLQN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	D1CCS	[U-99% 15N]	protein	0.5 (±0.1) mM
2	H2O		solvent	90 %
3	D2O		solvent	10 %
4	Na phosphate		buffer	0.1 mM
5	NaCl		salt	0.1 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6

#	Name	Isotope labeling	Type	Concentration
11	D1CCS	natural abundance	protein	0.5 (±0.1) mM
12	H2O		solvent	90 %
13	D2O		solvent	10 %
14	Na phosphate		buffer	0.1 mM
15	NaCl		salt	0.1 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.3 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.13 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.3 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.13 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.3 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methylene carbons	69.3 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.26 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2013-03-31

Citation

Mechanistic aspects of hSOD1 maturation from the solution structure of Cu(I) -loaded hCCS domain 1 and analysis of disulfide-free hSOD1 mutants
Banci, L., Bertini, I., Cantini, F., Kozyreva, T., Rubino, J.T.
Chembiochem. (2013), 14, 1839-1844, PubMed 23625804 , DOI 10.1002/cbic.201300042 , Abstract

Entries sharing articles Swiss-Prot: 2 entries Detail

  Swiss-Prot: O14618 released on 2002-01-31
    Title CCS_HUMAN Entity Copper chaperone for superoxide dismutase
  Swiss-Prot: P00441 released on 1986-07-21
    Title SODC_HUMAN Entity Superoxide dismutase [Cu-Zn]

Related entities 1. D1CCS, : 1 : 5 : 29 entities Detail

Interaction partners 1. D1CCS, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	D1CCS	[U-99% 15N]	protein	0.5 (±0.1) mM
2	H2O		solvent	90 %
3	D2O		solvent	10 %
4	Na phosphate		buffer	0.1 mM
5	NaCl		salt	0.1 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6

#	Name	Isotope labeling	Type	Concentration
11	D1CCS	natural abundance	protein	0.5 (±0.1) mM
12	H2O		solvent	90 %
13	D2O		solvent	10 %
14	Na phosphate		buffer	0.1 mM
15	NaCl		salt	0.1 mM

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

5 3D HNCO

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

6 3D HNCA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

7 3D HNCACB

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

8 3D HN(CO)CA

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±1) K, pH 6

#	Name	Isotope labeling	Type	Concentration
1	D1CCS	[U-99% 15N]	protein	0.5 (±0.1) mM
2	H2O		solvent	90 %
3	D2O		solvent	10 %
4	Na phosphate		buffer	0.1 mM
5	NaCl		salt	0.1 mM

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
6	D1CCS	[U-99% 13C; U-99% 15N]	protein	0.5 (±0.1) mM
7	H2O		solvent	90 %
8	D2O		solvent	10 %
9	Na phosphate		buffer	0.1 mM
10	NaCl		salt	0.1 mM

nullKeywords copper chaperone, human CCS, human SOD1, solution NMR

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Found 1 Document (1.155 seconds)

BMRB: 11502

Sample #1

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Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles Swiss-Prot: 2 entries Detail

Related entities 1. D1CCS, : 1 : 5 : 29 entities Detail

Interaction partners 1. D1CCS, : 1 interactors Detail

Experiments performed 11 experiments Detail

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