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BMRB: 15894

2K6W

Mechanism of metal delivery to the CuA center in terminal oxidases from bacteria: a redox m nage- -trois

Authors

Banci, L., Bertini, I., Ciofi-Baffoni, S., Wang, S.

Assembly

CuA center

Entity

1. CuA center (polymer, Thiol state: not present), 120 monomers, 13203.38 Da Detail

GSFTEGWVRF SPGPNAAAYL TLENPGDLPL RLVGARTPVA ERVELHETFM REVEGKKVMG MRPVPFLEVP PKGRVELKPG GYHFMLLGLK RPLKAGEEVE LDLLFAGGKV LKVVLPVEAR

Formula weight

13203.38 Da

Source organism

Thermus thermophilus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 91.3 %, Completeness (bb): 94.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.3 % (1293 of 1416)	94.2 % (699 of 742)	86.7 % (488 of 563)	95.5 % (106 of 111)
Backbone	94.4 % (657 of 696)	95.5 % (231 of 242)	93.4 % (323 of 346)	95.4 % (103 of 108)
Sidechain	89.7 % (741 of 826)	93.6 % (468 of 500)	83.6 % (270 of 323)	100.0 % (3 of 3)
Aromatic	42.7 % (41 of 96)	83.3 % (40 of 48)	0.0 % (0 of 47)	100.0 % (1 of 1)
Methyl	98.0 % (145 of 148)	97.3 % (72 of 74)	98.6 % (73 of 74)

1. CuA center

GSFTEGWVRF SPGPNAAAYL TLENPGDLPL RLVGARTPVA ERVELHETFM REVEGKKVMG MRPVPFLEVP PKGRVELKPG GYHFMLLGLK RPLKAGEEVE LDLLFAGGKV LKVVLPVEAR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 15N]	0.8 (±0.1) mM
2	D2O	[U-99.9% 2H]	10 %
3	H2O	natural abundance	90 %
4	Pi	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	entity	[U-100% 13C; U-100% 15N]	0.8 (±0.1) mM
6	D2O	[U-99.9% 2H]	10 %
7	H2O	natural abundance	90 %
8	Pi	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: 0.97 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: 0.97 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: -0.1 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	dioxane	methyl carbon	69.46 ppm	external	direct	1.0
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: 2.16 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 31 models in PDB: 2K6W, Strand ID: A Detail

Release date

2008-11-13

Citation

Mechanism of Cu(A) assembly
Abriata, L.A., Banci, L., Bertini, I., Ciofi-Baffoni, S., Gkazonis, P., Spyroulias, G.A., Vila, A.J., Wang, S.
Nat. Chem. Biol. (2008), 4, 599-601, PubMed 18758441 , DOI 10.1038/nchembio.110 , Abstract

Related entities 1. CuA center, : 1 : 3 : 7 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC