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BMRB: 18195

2LO4

NMR Solution Structure of Optineurin Zinc-finger Domain

Authors

Wilson, R.C., Wolfsberger, J., Twigg, P.D.

Assembly

optn 550

Entity

1. optn 550, entity 1 (polymer, Thiol state: free and other bound), 51 monomers, 5556.346 Da Detail

MGSSHHHHHH SSGLVPRGSH MASIPIHSCP KCGEVLPDID TLQIHVMDCI I

2. ZINC ION (non-polymer), 1 monomers, 65.409 Da

Total weight

5621.7554 Da

Max. entity weight

5556.346 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS29:SG	2:ZN1:ZN
2	na	sing	1:CYS32:SG	2:ZN1:ZN
3	na	sing	1:HIS45:NE2	2:ZN1:ZN
4	na	sing	1:CYS49:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 76.5 %, Completeness: 49.5 %, Completeness (bb): 62.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	49.5 % (275 of 555)	49.5 % (141 of 285)	45.9 % (102 of 222)	66.7 % (32 of 48)
Backbone	62.1 % (185 of 298)	52.0 % (53 of 102)	67.1 % (100 of 149)	68.1 % (32 of 47)
Sidechain	40.8 % (124 of 304)	48.1 % (88 of 183)	30.0 % (36 of 120)	0.0 % (0 of 1)
Aromatic	0.0 % (0 of 36)	0.0 % (0 of 18)	0.0 % (0 of 18)
Methyl	34.6 % (18 of 52)	65.4 % (17 of 26)	3.8 % (1 of 26)

1. entity 1

MGSSHHHHHH SSGLVPRGSH MASIPIHSCP KCGEVLPDID TLQIHVMDCI I

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.3

#	Name	Isotope labeling	Concentration
1	optn550	[U-100% 13C; U-100% 15N]	1.1 (±0.2) mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	50 mM
4	DSS	natural abundance	0.12 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %
7	sodium azide	natural abundance	0.9 %
8	ZnSO4	natural abundance	100 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7.3

#	Name	Isotope labeling	Concentration
9	optn550	[U-100% 15N]	1.1 (±0.2) mM
10	sodium phosphate	natural abundance	50 mM
11	sodium chloride	natural abundance	50 mM
12	DSS	natural abundance	0.12 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %
15	sodium azide	natural abundance	0.9 %
16	ZnSO4	natural abundance	100 uM

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: -0.22 ppm, Outliers: 1 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: -0.22 ppm, Outliers: 1 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: 0.38 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LO4, Strand ID: A Detail

Release date

2013-01-21

Citation

NMR Solution Structure of Optineurin Zinc-finger Domain
Wilson, R.C., Caudle, T.H., Wolfsberger, J., Twigg, P.D.
Not known

Related entities 1. optn 550, entity 1, : 1 : 22 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC