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NMR structure of the H103G mutant SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state
Authors
Erbil, W.K.
Assembly
SO2144
Entity
1. SO2144 (polymer, Thiol state: all free), 181 monomers, 20430.28 Da Detail

MKGIIFNVLE DMVVAQCGMS VWNELLEKHA PKDRVYVSAK SYAESELFSI VQDVAQRLNM PIQDVVKAFG QFLFNGLASR HTDVVDKFDD FTSLVMGIHD VIGLEVNKLY HEPSLPHING QLLPNNQIAL RYSSPRRLCF CAEGLLFGAA QHFQQKIQIS HDTCMHTGAD HCMLIIELQN D


2. CMO (non-polymer), 28.010 Da
3. HEM (non-polymer), 616.487 Da
4. IMD (non-polymer), 69.085 Da
Total weight
21143.861 Da
Max. entity weight
20430.28 Da
Source organism
Shewanella oneidensis MR-1
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.3 %, Completeness: 79.3 %, Completeness (bb): 83.1 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All79.3 % (1690 of 2130)86.7 % (955 of 1101)67.4 % (561 of 832)88.3 % (174 of 197)
Backbone83.1 % (892 of 1074)95.6 % (350 of 366)69.8 % (372 of 533)97.1 % (170 of 175)
Sidechain78.1 % (958 of 1227)82.3 % (605 of 735)74.3 % (349 of 470)18.2 % (4 of 22)
Aromatic34.4 % (62 of 180)60.0 % (54 of 90) 7.9 % (7 of 89)100.0 % (1 of 1)
Methyl96.8 % (209 of 216)98.1 % (106 of 108)95.4 % (103 of 108)

1. SO2144

MKGIIFNVLE DMVVAQCGMS VWNELLEKHA PKDRVYVSAK SYAESELFSI VQDVAQRLNM PIQDVVKAFG QFLFNGLASR HTDVVDKFDD FTSLVMGIHD VIGLEVNKLY HEPSLPHING QLLPNNQIAL RYSSPRRLCF CAEGLLFGAA QHFQQKIQIS HDTCMHTGAD HCMLIIELQN D

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O


#NameIsotope labelingTypeConcentration
1H-NOX[U-99% 13C; U-99% 15N]0.4 ~ 0.8 mM
2K3PO4natural abundance50 mM
3DTTnatural abundance5 mM
4glycerolnatural abundance5 %
5H2Onatural abundance90 %
6D2Onatural abundance10 %
7imidazolenatural abundance10 mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 100% D2O


#NameIsotope labelingTypeConcentration
8H-NOX[U-99% 13C; U-99% 15N]0.4 ~ 0.8 mM
9K3PO4natural abundance50 mM
10DTTnatural abundance5 mM
11glycerolnatural abundance5 %
12D2Onatural abundance100 %
13imidazolenatural abundance10 mM
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 50mM K3PO4, 5 mM DTT, 10 mM imidazole, 5% glycerol, pH 7.4, 90% H2O, 10% D2O


#NameIsotope labelingTypeConcentration
14H-NOX[U-99% 13C; U-99% 15N]0.4 ~ 0.8 mM
15K3PO4natural abundance50 mM
16DTTnatural abundance5 mM
17glycerolnatural abundance5 %
18H2Onatural abundance90 %
19D2Onatural abundance10 %
20imidazolenatural abundance10 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 2KIL, Strand ID: A Detail


Release date
2010-05-05
Citation
A structural basis for H-NOX signaling in Shewanella oneidensis by trapping a histidine kinase inhibitory conformation
Erbil, W., Price, M.S., Wemmer, D.E., Marletta, M.A.
Proc. Natl. Acad. Sci. U. S. A. (2009), 106, 19753-19760, PubMed 19918063 , DOI 10.1073/pnas.0911645106 ,
Related entities 1. SO2144, : 1 : 6 : 28 entities Detail
Experiments performed 13 experiments Detail
NMR combined restraints 6 contents Detail
Keywords H-NOX