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BMRB: 11249

2LKU

Assignment of holo form GrxS14 from Populus trichocarpa

Authors

Wang, L., Xia, B.

Assembly

holo GrxS14

Entity

1. apo GrxS14 (polymer, Thiol state: free and disulfide bound), 109 monomers, 12183.91 × 2 Da Detail

MALTPALKTT LDKVVTSHKV VLFMKGTKDF PQCGFSQTVV QILKSLNAPF ESVNILENEL LRQGLKEYSS WPTFPQLYID GEFFGGCDIT VEAYKSGELQ EQVEKAMCS

2. GSH (non-polymer), 307.323 × 2 Da
3. FES (non-polymer), 175.820 Da

Total weight

25158.287 Da

Max. entity weight

12183.91 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS33:SG	3:FES1:FE1
2	na	sing	2:GSH1:SG2	3:FES1:FE1
3	na	sing	1:CYS33:SG	3:FES1:FE2
4	na	sing	2:GSH1:SG2	3:FES1:FE2

Source organism

Populus trichocarpa

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.4 %, Completeness: 82.3 %, Completeness (bb): 87.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.3 % (1066 of 1295)	82.6 % (554 of 671)	80.9 % (412 of 509)	87.0 % (100 of 115)
Backbone	87.0 % (560 of 644)	85.9 % (189 of 220)	87.5 % (280 of 320)	87.5 % (91 of 104)
Sidechain	79.8 % (601 of 753)	80.9 % (365 of 451)	78.0 % (227 of 291)	81.8 % (9 of 11)
Aromatic	14.5 % (16 of 110)	20.0 % (11 of 55)	9.3 % (5 of 54)	0.0 % (0 of 1)
Methyl	95.2 % (120 of 126)	93.7 % (59 of 63)	96.8 % (61 of 63)

1. apo GrxS14

MALTPALKTT LDKVVTSHKV VLFMKGTKDF PQCGFSQTVV QILKSLNAPF ESVNILENEL LRQGLKEYSS WPTFPQLYID GEFFGGCDIT VEAYKSGELQ EQVEKAMCS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	holo GrxS14	[U-13C; U-15N]	1 mM
2	glutathione	natural abundance	20 mM
3	TRIS	natural abundance	30 mM
4	sodium chloride	natural abundance	50 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.97 ppm, Outliers: 3 Detail

Release date

2010-11-28

Citation

1H, 13C, and 15N resonance assignments of reduced GrxS14 from Populus tremula × tremuloides
Wang, L., Ren, X., Li, Y., Rouhier, N., Jacquot, J., Jin, C., Xia, B.
Biomol. NMR Assign. (2011), 5, 121-124, PubMed 21086077 , DOI 10.1007/s12104-010-9282-1 , Abstract

Related entities 1. apo GrxS14, : 1 : 260 entities Detail

Interaction partners 1. apo GrxS14, : 4 interactors Detail

More details for 4 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC