BMRB Entry 16276

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PDB ID: 2kii
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16276
MolProbity Validation Chart

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Title:
NMR structure of the SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state
Deposition date:
2009-05-05
Original release date:
2010-05-06
Authors:
Erbil, William
Citation:

Citation: Erbil, W. Kaya; Price, Mark; Wemmer, David; Marletta, Michael. "A structural basis for H-NOX signaling in Shewanella oneidensis by trapping a histidine kinase inhibitory conformation."  Proc. Natl. Acad. Sci. U.S.A. 106, 19753-19760 (2009).
PubMed: 19918063

Assembly members:

Assembly members:
SO2144, polymer, 181 residues, 20534.734 Da.
CMO, non-polymer, 28.010 Da.
HEM, non-polymer, 616.487 Da.

Natural source:

Natural source:   Common Name: Shewanella oneidensis MR-1   Taxonomy ID: 211586   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Shewanella oneidensis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET20b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SO2144: MKGIIFNVLEDMVVAQCGMS VWNELLEKHAPKDRVYVSAK SYAESELFSIVQDVAQRLNM PIQDVVKAFGQFLFNGLASR HTDVVDKFDDFTSLVMGIHD VIHLEVNKLYHEPSLPHING QLLPNNQIALRYSSPRRLCF CAEGLLFGAAQHFQQKIQIS HDTCMHTGADHCMLIIELQN D

Data sets:
Data typeCount
13C chemical shifts709
15N chemical shifts176
1H chemical shifts1206

Additional metadata:

  • Assembly
  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1SO21441
2CMO2
3PROTOPORPHYRIN IX CONTAINING FE3

Entities:

Entity 1, SO2144 181 residues - 20534.734 Da.

1   METLYSGLYILEILEPHEASNVALLEUGLU
2   ASPMETVALVALALAGLNCYSGLYMETSER
3   VALTRPASNGLULEULEUGLULYSHISALA
4   PROLYSASPARGVALTYRVALSERALALYS
5   SERTYRALAGLUSERGLULEUPHESERILE
6   VALGLNASPVALALAGLNARGLEUASNMET
7   PROILEGLNASPVALVALLYSALAPHEGLY
8   GLNPHELEUPHEASNGLYLEUALASERARG
9   HISTHRASPVALVALASPLYSPHEASPASP
10   PHETHRSERLEUVALMETGLYILEHISASP
11   VALILEHISLEUGLUVALASNLYSLEUTYR
12   HISGLUPROSERLEUPROHISILEASNGLY
13   GLNLEULEUPROASNASNGLNILEALALEU
14   ARGTYRSERSERPROARGARGLEUCYSPHE
15   CYSALAGLUGLYLEULEUPHEGLYALAALA
16   GLNHISPHEGLNGLNLYSILEGLNILESER
17   HISASPTHRCYSMETHISTHRGLYALAASP
18   HISCYSMETLEUILEILEGLULEUGLNASN
19   ASP

Entity 2, CMO - C O - 28.010 Da.

1   CMO

Entity 3, PROTOPORPHYRIN IX CONTAINING FE - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Related Database Links:

BMRB 16278
PDB 2KII 2KIL 4U99 4U9B 4U9G 4U9J 4U9K
GB AAN55189
REF NP_717745 WP_011072197

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