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Solution structure of human SUMO1
Authors
Naik, M.T., Naik, N., Shih, H., Huang, T.
Assembly
human SUMO1
Entity
1. human SUMO1 (polymer, Thiol state: all free), 111 monomers, 12745.05 Da Detail

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


Formula weight
12745.05 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: 87.1 %, Completeness (bb): 87.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All87.1 % (1136 of 1304)86.2 % (594 of 689)87.8 % (437 of 498)89.7 % (105 of 117)
Backbone87.1 % (573 of 658)85.9 % (195 of 227)87.0 % (282 of 324)89.7 % (96 of 107)
Sidechain87.3 % (653 of 748)86.4 % (399 of 462)88.8 % (245 of 276)90.0 % (9 of 10)
Aromatic68.9 % (62 of 90)68.9 % (31 of 45)68.9 % (31 of 45)
Methyl100.0 % (82 of 82)100.0 % (41 of 41)100.0 % (41 of 41)

1. SUMO1

MGSSHHHHHH SQDPMSDQEA KPSTEDLGDK KEGEYIKLKV IGQDSSEIHF KVKMTTHLKK 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 (±0.1), Details 13C, 15N SUMO1


#NameIsotope labelingTypeConcentration
1SUMO1[U-100% 13C; U-100% 15N]0.5 ~ 1.0 (±0.05) mM
2potassium phosphatenatural abundance10 (±1.0) mM
3potassium chloridenatural abundance100 (±1.0) mM
4DTTnatural abundance2 (±0.05) mM
5EDTAnatural abundance0.1 (±0.005) mM
6sodium azidenatural abundance0.001 (±0.001) %
7H2Onatural abundance90 %
8D2Onatural abundance10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.1), Details 15N SUMO1


#NameIsotope labelingTypeConcentration
9SUMO1[U-100% 15N]0.5 ~ 1.0 (±0.05) mM
10potassium phosphatenatural abundance10 (±1.0) mM
11potassium chloridenatural abundance100 (±1.0) mM
12DTTnatural abundance2 (±0.05) mM
13EDTAnatural abundance0.1 (±0.005) mM
14sodium azidenatural abundance0.001 (±0.001) %
15H2Onatural abundance90 %
16D2Onatural abundance10 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.1), Details 15N SUMO1 in Pf1 phage alignment medium.


#NameIsotope labelingTypeConcentration
17SUMO1[U-100% 15N]0.5 ~ 1.0 (±0.05) mM
18potassium phosphatenatural abundance10 (±1.0) mM
19potassium chloridenatural abundance100 (±1.0) mM
20DTTnatural abundance2 (±0.05) mM
21EDTAnatural abundance0.1 (±0.005) mM
22sodium azidenatural abundance0.001 (±0.001) %
23Pf1 phagenatural abundance10 (±0.1) w/v
24H2Onatural abundance90 %
25D2Onatural abundance10 %
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 290 (±0.1) K, pH 6.5 (±0.1), Details SUMO1


#NameIsotope labelingTypeConcentration
26SUMO1natural abundance0.5 ~ 1.0 (±0.05) mM
27potassium phosphatenatural abundance10 (±1.0) mM
28potassium chloridenatural abundance100 (±1.0) mM
29DTTnatural abundance2 (±0.05) mM
30EDTAnatural abundance0.1 (±0.005) mM
31sodium azidenatural abundance0.001 (±0.001) %
32H2Onatural abundance90 %
33D2Onatural abundance10 %

LACS Plot; CA
Referencing offset: -0.03 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.03 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.02 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: 0.09 ppm, Outliers: 2 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2N1V, Strand ID: A Detail


Release date
2016-04-17
Citation
Structures of human SUMO
Naik, M.T., Naik, N., Shih, H., Huang, T.
Not known
Related entities 1. human SUMO1, : 1 : 27 : 41 entities Detail
Interaction partners 1. human SUMO1, : 123 interactors Detail
Experiments performed 17 experiments Detail
NMR combined restraints 6 contents Detail
Keywords SUMO, Ubiquitin-like protein