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Solution NMR structure of C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), Northeast Structural Genomics Consortium Target HR7614B.
Authors
Yang, Y., Ramelot, T.A., Cort, J.R., Shastry, R., Kohan, E., Janjua, H., Xiao, R., Acton, T., Everett, J.K., Montelione, G.T., Kennedy, M.A.
Assembly
C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497)
Entity
1. HR7614B (polymer, Thiol state: free and other bound), 85 monomers, 9236.319 Da Detail

MGHHHHHHSH MGDGEGAGVL GLSASAECHL CPVCGESFAS KGAQERHLRL LHAAQVFPCK YCPATFYSSP GLTRHINKCH PSENR


2. C2H2-type Zinc-fingers 4 and 5 from human Insulinoma-associated protein 1 (fragment 424-497), entity ZN (non-polymer), 65.409 × 2 Da
Total weight
9367.138 Da
Max. entity weight
9236.319 Da
Entity Connection
metal coordination 8 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1metal coordinationsing1:CYS31:SG2:ZN1:ZN
2metal coordinationsing1:CYS34:SG2:ZN1:ZN
3metal coordinationsing1:HIS47:NE22:ZN1:ZN
4metal coordinationsing1:HIS52:NE22:ZN1:ZN
5metal coordinationsing1:CYS59:SG2:ZN1:ZN
6metal coordinationsing1:CYS62:SG2:ZN1:ZN
7metal coordinationsing1:HIS75:NE22:ZN1:ZN
8metal coordinationsing1:HIS80:NE22:ZN1:ZN

Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 89.4 %, Completeness: 86.5 %, Completeness (bb): 86.8 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All86.5 % (800 of 925)87.0 % (416 of 478)86.0 % (312 of 363)85.7 % (72 of 84)
Backbone86.8 % (434 of 500)87.4 % (152 of 174)87.0 % (214 of 246)85.0 % (68 of 80)
Sidechain86.6 % (434 of 501)86.8 % (264 of 304)86.0 % (166 of 193)100.0 % (4 of 4)
Aromatic66.0 % (62 of 94)66.0 % (31 of 47)66.0 % (31 of 47)
Methyl100.0 % (64 of 64)100.0 % (32 of 32)100.0 % (32 of 32)

1. HR7614B

MGHHHHHHSH MGDGEGAGVL GLSASAECHL CPVCGESFAS KGAQERHLRL LHAAQVFPCK YCPATFYSSP GLTRHINKCH PSENR

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM HR7614B.021, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1HR7614B.021[U-100% 13C; U-100% 15N]0.69 mM
2NaClnatural abundance100 mM
3DTTnatural abundance5 mM
4NaN3natural abundance0.02 %
5Tris-HCl pH 7.5natural abundance10 mM
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.25 mM HR7614B.023, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
6HR7614B.023[U-5% 13C; U-100% 15N]1.25 mM
7NaClnatural abundance100 mM
8DTTnatural abundance5 mM
9NaN3natural abundance0.02 %
10Tris-HCl pH 7.5natural abundance10 mM
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.69 mM HR7614B.023


#NameIsotope labelingTypeConcentration
11HR7614B.023[U-5% 13C; U-100% 15N]1.25 mM
12NaClnatural abundance100 mM
13DTTnatural abundance5 mM
14NaN3natural abundance0.02 %
15Tris-HCl pH 7.5natural abundance10 mM

LACS Plot; CA
Referencing offset: -0.11 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.11 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.08 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.17 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2LV2, Strand ID: A Detail


Release date
2015-11-15
Related entities 1. HR7614B, : 1 : 3 : 37 entities Detail
Interaction partners 1. HR7614B, : 4 interactors Detail
Experiments performed 19 experiments Detail
NMR combined restraints 4 contents Detail
Keywords C2H2-type Zinc-fingers, NESG, NMR structure, fragment 424-497, human Insulinoma-associated protein 1, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), PSI-Biology, Protein NMR, Protein Structure Initiative, Structural Genomics, Target HR7614B