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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

IDTypeValue orderAtom ID 1Atom ID 2
1nasing1:CYS29:SG2:ZN1:ZN
2nasing1:CYS32:SG2:ZN1:ZN
3nasing1:HIS45:NE22:ZN1:ZN
4nasing1:CYS49:SG2: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)

Total1H13C15N
All49.5 % (275 of 555)49.5 % (141 of 285)45.9 % (102 of 222)66.7 % (32 of 48)
Backbone62.1 % (185 of 298)52.0 % (53 of 102)67.1 % (100 of 149)68.1 % (32 of 47)
Sidechain40.8 % (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)
Methyl34.6 % (18 of 52)65.4 % (17 of 26) 3.8 % (1 of 26)

1. entity 1

MGSSHHHHHH SSGLVPRGSH MASIPIHSCP KCGEVLPDID TLQIHVMDCI I

Sample #1

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


#NameIsotope labelingTypeConcentration
1optn550[U-100% 13C; U-100% 15N]1.1 (±0.2) mM
2sodium phosphatenatural abundance50 mM
3sodium chloridenatural abundance50 mM
4DSSnatural abundance0.12 mM
5H2Onatural abundance90 %
6D2Onatural abundance10 %
7sodium azidenatural abundance0.9 %
8ZnSO4natural abundance100 uM
Sample #2

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


#NameIsotope labelingTypeConcentration
9optn550[U-100% 15N]1.1 (±0.2) mM
10sodium phosphatenatural abundance50 mM
11sodium chloridenatural abundance50 mM
12DSSnatural abundance0.12 mM
13H2Onatural abundance90 %
14D2Onatural abundance10 %
15sodium azidenatural abundance0.9 %
16ZnSO4natural abundance100 uM

LACS Plot; CA
Referencing offset: -0.22 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.22 ppm, Outliers: 1 Detail
LACS Plot; CO
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 : 25 entities Detail
Experiments performed 8 experiments Detail
NMR combined restraints 6 contents Detail
Keywords nemo, Optineurin, zinc-finger