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SOLUTION STRUCTURE OF LYS39 ACETYLATED HUMAN SUMO1
Authors
Naik, M.T., Naik, N., Shih, H., Huang, T.
Assembly
Small ubiquitin-related modifier 1
Entity
1. Small ubiquitin-related modifier 1 (polymer, Thiol state: all free), 111 monomers, 12787.08 Da Detail

MGSSHHHHHH SQDPMSDQEA KPSTEDLGDK KEGEYIKLKV IGQDSSEIHF KVXMTTHLKK LKESYCQRQG VPMNSLRFLF EGQRIADNHT PKELGMEEED VIEVYQEQTG G


Formula weight
12787.08 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
TORSION ANGLE DYNAMICS, DGSA- DISTANCE GEOMETRY SIMULATED ANNEALING
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 89.2 %, Completeness: 89.0 %, Completeness (bb): 89.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All89.0 % (1146 of 1287)89.5 % (608 of 679)88.2 % (434 of 492)89.7 % (104 of 116)
Backbone89.0 % (580 of 652)89.8 % (202 of 225)88.2 % (283 of 321)89.6 % (95 of 106)
Sidechain89.3 % (657 of 736)89.4 % (406 of 454)89.0 % (242 of 272)90.0 % (9 of 10)
Aromatic67.8 % (61 of 90)68.9 % (31 of 45)66.7 % (30 of 45)
Methyl100.0 % (82 of 82)100.0 % (41 of 41)100.0 % (41 of 41)

1. Small ubiquitin-related modifier 1

MGSSHHHHHH SQDPMSDQEA KPSTEDLGDK KEGEYIKLKV IGQDSSEIHF KVXMTTHLKK LKESYCQRQG VPMNSLRFLF EGQRIADNHT PKELGMEEED VIEVYQEQTG G

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 13C; U-100% 15N] SUMO1 K39Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1DTTnatural abundance2 mM
2EDTAnatural abundance0.1 mM
3SUMO1 K39Ac[U-100% 13C; U-100% 15N]protein1 mM
4potassium chloridenatural abundancesalt100 mM
5potassium phosphatenatural abundancebuffer10 mM
6sodium azidenatural abundance0.001 %
7H2Onatural abundancesolvent90 %
8D2O[U-2H]solvent10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.05), Details 1 mM [U-100% 15N] SUMO1 K39Ac, 10 mM potassium phosphate, 100 mM potassium chloride, 2 mM DTT, 0.1 mM EDTA, 0.001 % sodium azide, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
9DTTnatural abundance2 mM
10EDTAnatural abundance0.1 mM
11SUMO1 K39Ac[U-100% 15N]protein1 mM
12potassium chloridenatural abundancesalt100 mM
13potassium phosphatenatural abundancebuffer10 mM
14sodium azidenatural abundance0.001 %
15H2Onatural abundancesolvent90 %
16D2O[U-2H]solvent10 %

LACS Plot; CA
Referencing offset: -0.04 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.04 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.03 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: 0.12 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 5GHD, Strand ID: A Detail


Release date
2016-07-04
Citation
Structures of Human Sumo
Naik, M.T., Naik, N., Shih, H., Huang, T.
Related entities 1. Small ubiquitin-related modifier 1, : 1 : 28 : 39 entities Detail
Interaction partners 1. Small ubiquitin-related modifier 1, : 123 interactors Detail
Experiments performed 21 experiments Detail
NMR combined restraints 6 contents Detail
Keywords ACETYLATED PROTEIN, STRUCTURAL GENOMICS, UBIQUITIN-LIKE PROTEIN