BMRBj - BMREntryMaster

Found 1 Document (0.949 seconds)

BMRB: 19585

2MG4

Solution structure of a computational designed dimer based on the engrailed homeodomain structure

Authors

Mou, Y., Huang, P., Hsu, F., Huang, S., Mayo, S.L.

Assembly

computational designed dimer based on the engrailed homeodomain structure

Entity

1. computational designed dimer based on the engrailed homeodomain structure (polymer, Thiol state: not present), 66 monomers, 8430.405 × 2 Da Detail

MEKRPRTEFS EEQKKALDLA FYFDRRLTPE WRRYLSQRLG LNEEQIERWF RRKEQQIGWS HPQFEK

Total weight

16860.81 Da

Max. entity weight

8430.405 Da

Source organism

Drosophila melanogaster

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 79.5 %, Completeness (bb): 95.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.5 % (699 of 879)	79.4 % (377 of 475)	79.2 % (262 of 331)	82.2 % (60 of 73)
Backbone	95.1 % (371 of 390)	95.4 % (125 of 131)	94.9 % (186 of 196)	95.2 % (60 of 63)
Sidechain	70.2 % (388 of 553)	73.3 % (252 of 344)	68.3 % (136 of 199)	0.0 % (0 of 10)
Aromatic	30.2 % (32 of 106)	43.4 % (23 of 53)	18.0 % (9 of 50)	0.0 % (0 of 3)
Methyl	90.0 % (36 of 40)	95.0 % (19 of 20)	85.0 % (17 of 20)

1. entity

MEKRPRTEFS EEQKKALDLA FYFDRRLTPE WRRYLSQRLG LNEEQIERWF RRKEQQIGWS HPQFEK

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310 K, pH 4.5

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N]	1.9 mg/mL
2	sodium chloride	natural abundance	100 mM
3	DTT	natural abundance	10 mM
4	sodium azide	natural abundance	0.02 %
5	calcium chloride	natural abundance	5 mM
6	ammonium acetate	natural abundance	20 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0

Referencing offset: 0.38 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0

Referencing offset: 0.38 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0

Referencing offset: 0.09 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.0 ppm	external	direct	1.0

Referencing offset: -0.15 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MG4, Strand ID: A, B Detail

Release date

2015-04-06

Citation

Computational design and experimental verification of a symmetric protein homodimer
Mou, Y., Huang, P., Hsu, F., Huang, S., Mayo, S.L.
Proc. Natl. Acad. Sci. U. S. A. (2015), 112, 10714-10719, PubMed 26269568 , DOI 10.1073/pnas.1505072112 , Abstract

Related entities 1. computational designed dimer based on the engrailed homeodomain structure, : 1 : 1 : 177 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC