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BMRB: 15896

2K6Z

Solution structures of copper loaded form PCuA (trans conformation of the peptide bond involving the nitrogen of P14)

Authors

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

Assembly

copper loaded form PCuA

Entity

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

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

2. CU (non-polymer), 63.546 Da

Total weight

13266.926 Da

Max. entity 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: 100.0 %, Completeness: 91.7 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (1299 of 1416)	92.0 % (683 of 742)	90.2 % (508 of 563)	97.3 % (108 of 111)
Backbone	96.3 % (670 of 696)	96.3 % (233 of 242)	96.0 % (332 of 346)	97.2 % (105 of 108)
Sidechain	88.7 % (733 of 826)	90.0 % (450 of 500)	86.7 % (280 of 323)	100.0 % (3 of 3)
Aromatic	53.1 % (51 of 96)	77.1 % (37 of 48)	27.7 % (13 of 47)	100.0 % (1 of 1)
Methyl	100.0 % (148 of 148)	100.0 % (74 of 74)	100.0 % (74 of 74)

1. 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_1	[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_1	[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: 0.99 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: -0.12 ppm, Outliers: 5 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: 1.93 ppm, Outliers: 6 Detail

Protein Blocks Logo

Calculated from 31 models in PDB: 2K6Z, 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. PCuA, : 1 : 3 : 7 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC