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BMRB: 6972

2DJJ

NMR assignment of the a' domain of thermophilic fungal protein disulfide isomerase

Authors

Nakano, M., Murakami, C., Yamaguchi, Y., Sasakawa, H., Harada, T., Kurimoto, E., Asami, O., Kajino, T., Kato, K.

Assembly

PDI-a'

Entity

1. PDI-a' (polymer, Thiol state: all free), 121 monomers, 13108.78 Da Detail

GPLGSEGPVT VVVAKNYNEI VLDDTKDVLI EFYAPWCGHC KALAPKYEEL GALYAKSEFK DRVVIAKVDA TANDVPDEIQ GFPTIKLYPA GAKGQPVTYS GSRTVEDLIK FIAENGKYKA A

Formula weight

13108.78 Da

Source organism

Humicola insolens

Exptl. method

NMR

Refine. method

distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 85.5 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.5 % (1182 of 1383)	88.4 % (630 of 713)	79.3 % (436 of 550)	96.7 % (116 of 120)
Backbone	95.6 % (679 of 710)	95.9 % (234 of 244)	95.2 % (336 of 353)	96.5 % (109 of 113)
Sidechain	77.9 % (611 of 784)	84.4 % (396 of 469)	67.5 % (208 of 308)	100.0 % (7 of 7)
Aromatic	36.6 % (41 of 112)	62.5 % (35 of 56)	9.1 % (5 of 55)	100.0 % (1 of 1)
Methyl	92.6 % (137 of 148)	100.0 % (74 of 74)	85.1 % (63 of 74)

1. PDI-a'

GPLGSEGPVT VVVAKNYNEI VLDDTKDVLI EFYAPWCGHC KALAPKYEEL GALYAKSEFK DRVVIAKVDA TANDVPDEIQ GFPTIKLYPA GAKGQPVTYS GSRTVEDLIK FIAENGKYKA A

Show sample condition

Sample

Temperature 310 (±1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	PDI-a'	[U-13C; U-15N]		1 mM

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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.48 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.48 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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

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	external	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.72 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2006-08-06

Citation

NMR assignments of the b' and a' domains of thermophilic fungal protein disulfide isomerase
Nakano, M., Murakami, C., Yamaguchi, Y., Sasakawa, H., Harada, T., Kurimoto, E., Asami, O., Kajino, T., Kato, K.
J. Biomol. NMR (2006), 36 Suppl 1, 44-44, PubMed 16819589 , DOI 10.1007/s10858-006-9016-y , Abstract

Related entities 1. PDI-a', : 1 : 3 : 4 : 349 entities Detail

Experiments performed 16 experiments Detail

1 1H15N HSQC