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BMRB: 27432

6G8O

Solution structure of the cross-linked dimer of the SLy1 SAM domain S320C mutant

Authors

Kukuk, L.K., Dingley, A.J., Koenig, B.W.

Assembly

SLy1 SAM dimer

Entity

1. SLy1 SAM dimer (polymer, Thiol state: all disulfide bound), 69 monomers, 7944.869 × 2 Da Detail

GPKTLHELLE RIGLEEHTST LLLNGYQTLE DFKELRETHL NELNIMDPQH RAKLLTAAEL LLDYDTGCE

Total weight

15889.738 Da

Max. entity weight

7944.869 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS68:SG	1:CYS68:SG

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.8 %, Completeness (bb): 99.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.8 % (800 of 810)	98.8 % (415 of 420)	98.4 % (313 of 318)	100.0 % (72 of 72)
Backbone	99.5 % (408 of 410)	100.0 % (140 of 140)	99.0 % (201 of 203)	100.0 % (67 of 67)
Sidechain	98.3 % (457 of 465)	98.2 % (275 of 280)	98.3 % (177 of 180)	100.0 % (5 of 5)
Aromatic	100.0 % (42 of 42)	100.0 % (21 of 21)	100.0 % (21 of 21)
Methyl	97.8 % (90 of 92)	97.8 % (45 of 46)	97.8 % (45 of 46)

1. Sly1 SAM

GPKTLHELLE RIGLEEHTST LLLNGYQTLE DFKELRETHL NELNIMDPQH RAKLLTAAEL LLDYDTGCE

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 6.4

#	Name	Isotope labeling	Concentration
1	Sly1 SAM	[U-13C; U-15N]	1.4 mM
2	potassium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	20 mM
4	EDTA	natural abundance	0.2 mM
5	sodium azide	natural abundance	0.03 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 6.4

#	Name	Isotope labeling	Concentration
6	Sly1 SAM	[U-13C; U-15N]	0.8 mM
7	potassium phosphate	natural abundance	50 mM
8	sodium chloride	natural abundance	20 mM
9	EDTA	natural abundance	0.2 mM
10	sodium azide	natural abundance	0.03 %
11	Sly1 SAM	natural abundance	0.8 mM

LACS Plot; CA

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

Referencing offset: -0.29 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.29 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.37 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 6G8O, Strand ID: A, B Detail

Release date

2018-03-20

Citation

Structure of the SLy1 SAM homodimer reveals a new interface for SAM domain self-association
Kukuk, L., Dingley, A.J., Granzin, J., Nagel-Steger, L., Thiagarajan-Rosenkranz, P., Ciupka, D., Hanel, K., Batra-Safferling, R., Pacheco, V., Stoldt, M., Pfeffer, K., Beer-Hammer, S., Willbold, D., Koenig, B.W.
Sci. Rep. (2019), 9, 54-54, PubMed 30631134 , DOI 10.1038/s41598-018-37185-3 , Abstract

Related entities 1. SLy1 SAM dimer, : 1 : 7 : 104 entities Detail

Interaction partners 1. SLy1 SAM dimer, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC