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BMRB: 15895

2K6W

Solution structures of apo form PCuA (cis conformation of the peptide bond involving the nitrogen of P14)

Authors

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

Assembly

apo form PCuA

Entity

1. apo form PCuA (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

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 89.3 %, Completeness (bb): 92.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.3 % (1264 of 1416)	90.8 % (674 of 742)	86.0 % (484 of 563)	95.5 % (106 of 111)
Backbone	92.1 % (641 of 696)	91.3 % (221 of 242)	91.9 % (318 of 346)	94.4 % (102 of 108)
Sidechain	86.6 % (715 of 826)	89.4 % (447 of 500)	82.0 % (265 of 323)	100.0 % (3 of 3)
Aromatic	43.8 % (42 of 96)	85.4 % (41 of 48)	0.0 % (0 of 47)	100.0 % (1 of 1)
Methyl	95.9 % (142 of 148)	93.2 % (69 of 74)	98.6 % (73 of 74)

1. apo form PCuA

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	natural abundance	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	natural abundance	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: 0.99 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: 0.99 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: 2.12 ppm, Outliers: 4 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

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 15894 released on 2008-11-13
    Title Mechanism of metal delivery to the CuA center in terminal oxidases from bacteria: a redox m nage- -trois
  BMRB: 15896 released on 2008-11-13
    Title Solution structures of copper loaded form PCuA (trans conformation of the peptide bond involving the nitrogen of P14)
  BMRB: 15897 released on 2008-11-13
    Title Solution structures of copper loaded form PCuA (cis conformation of the peptide bond involving the nitrogen of P14)
  BMRB: 15893 released on 2008-10-09
    Title Mechanism of metal delivery to the CuA center in terminal oxidases from bacteria: a redox m nage- -trois

Related entities 1. apo form PCuA, : 1 : 3 : 7 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC