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BMRB: 18514

2LUA

Solution structure of CXC domain of MSL2

Authors

Feng, Y., Ye, K., Zheng, S., Wang, J., Wang, J.

Assembly

MSL2

Entity

1. MSL2, entity 1 (polymer, Thiol state: all other bound), 52 monomers, 5642.417 Da Detail

SPPKPKCRCG ISGSSNTLTT CRNSRCPCYK SYNSCAGCHC VGCKNPHKED YV

2. ZINC ION (non-polymer, Thiol state: not present), 65.409 × 3 Da

Total weight

5838.644 Da

Max. entity weight

5642.417 Da

Entity Connection

na 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS7:SG	2:ZN1:ZN

Source organism

Drosophila melanogaster

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.9 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.9 % (549 of 561)	98.3 % (292 of 297)	97.2 % (207 of 213)	98.0 % (50 of 51)
Backbone	97.4 % (294 of 302)	99.0 % (102 of 103)	96.1 % (146 of 152)	97.9 % (46 of 47)
Sidechain	98.4 % (302 of 307)	97.9 % (190 of 194)	99.1 % (108 of 109)	100.0 % (4 of 4)
Aromatic	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)
Methyl	100.0 % (24 of 24)	100.0 % (12 of 12)	100.0 % (12 of 12)

1. entity 1

SPPKPKCRCG ISGSSNTLTT CRNSRCPCYK SYNSCAGCHC VGCKNPHKED YV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
1	MSL2	[U-13C; U-15N]	0.5 ~ 1.5 mM
2	potassium phosphate	natural abundance	50 mM
3	DSS	natural abundance	0.01 %
4	D2O	[U-2H]	10 %
5	H2O	[U-2H]	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6

#	Name	Isotope labeling	Concentration
6	MSL2	natural abundance	1 mM
7	ZINC ION	Cd113	3 mM
8	potassium phosphate	natural abundance	50 mM
9	DSS	natural abundance	0.01 %
10	D2O	[U-2H]	10 %
11	H2O	[U-2H]	90 %

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: 0.09 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: 0.09 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: 0.04 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: 1.47 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LUA, Strand ID: A Detail

Release date

2012-10-14

Citation

Solution structure of MSL2 CXC domain reveals an unusual Zn3Cys9 cluster and similarity to pre-SET domains of histone lysine methyltransferases
Zheng, S., Wang, J., Feng, Y., Wang, J., Ye, K.
PLoS One (2012), 7, e45437-e45437, PubMed 23029009 , DOI 10.1371/journal.pone.0045437 , Abstract

Related entities 1. MSL2, entity 1, : 1 : 2 : 2 : 14 entities Detail

Interaction partners 1. MSL2, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC