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BMRB: 15828

2K5C

NMR Structure for PF0385

Authors

Prestegard, J.H., Tian, F., Baucom, C., Adams, M.W. W., Sugar, F.J.

Assembly

PF0385

Entity

1. PF0385 (polymer, Thiol state: disulfide and other bound), 88 monomers, 10457.08 Da Detail

MAKCPICGSP LKWEELIEEM LIIENFEEIV KDRERFLAQV EEFVFKCPVC GEEFYGKTLP RREAEKVFEL LNDFKGGIDW ENKRVKLK

Formula weight

10457.08 Da

Source organism

Pyrococcus furiosus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 67.9 %, Completeness (bb): 84.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	67.9 % (754 of 1110)	68.5 % (403 of 588)	61.3 % (265 of 432)	95.6 % (86 of 90)
Backbone	84.2 % (438 of 520)	98.9 % (175 of 177)	69.1 % (179 of 259)	100.0 % (84 of 84)
Sidechain	59.3 % (399 of 673)	55.5 % (228 of 411)	66.0 % (169 of 256)	33.3 % (2 of 6)
Aromatic	46.1 % (47 of 102)	45.1 % (23 of 51)	44.9 % (22 of 49)	100.0 % (2 of 2)
Methyl	92.0 % (81 of 88)	93.2 % (41 of 44)	90.9 % (40 of 44)

1. PF0385

MAKCPICGSP LKWEELIEEM LIIENFEEIV KDRERFLAQV EEFVFKCPVC GEEFYGKTLP RREAEKVFEL LNDFKGGIDW ENKRVKLK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 1.2 mM 13C, 15N labeled protein in 20 mM Tris-Mops, 5 mM DTT, 50 mM KCl, pH 7.0

#	Name	Isotope labeling	Concentration
1	PF0385	[U-100% 13C; U-100% 15N]	1.2 mM
2	Tris-Mops	natural abundance	20 mM
3	DTT	natural abundance	5 mM
4	KCl	natural abundance	50 mM
5	H2O	natural abundance	90 %
6	D2O	[U-100% 2H]	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.8 mM 13C, 15N protein in 20 mM Tris-Mops, 50 mM KCl, 5 mM DTT, pH 7.0 with 3% PEG

#	Name	Isotope labeling	Concentration
7	PF0385	[U-100% 13C; U-100% 15N]	0.8 mM
8	Tris-Mops	natural abundance	20 mM
9	DTT	natural abundance	5 mM
10	KCl	natural abundance	50 mM
11	H2O	natural abundance	90 %
12	D2O	[U-100% 2H]	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2K5C, Strand ID: A Detail

Release date

2008-08-19

Citation

NMR structure of PF0385
Prestegard, J.H., Tian, F., Baucom, C., Adams, M.W. W., Sugar, F.J.
Not known

Related entities 1. PF0385, : 1 : 26 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC