BMRB Entry 17226

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17226

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Title:
1H, 15N, and 13C chemical shift assignments, and 15N dynamics for trHbN-cyanomet from M. tuberculosis
Deposition date:
2010-09-30
Original release date:
2011-10-28
Authors:
Savard, Pierre-Yves; Morin, Sebastien; Sebilo, Anne; Meindre, Fanny; Guertin, Michel; Gagne, Stephane
Citation:

Citation: Savard, Pierre-Yves; Daigle, Richard; Morin, Sebastien; Sebilo, Anne; Meindre, Fanny; Lague, Patrick; Guertin, Michel; Gagne, Stephane. "Structure and dynamics of Mycobacterium tuberculosis truncated hemoglobin N: insights from NMR spectroscopy and molecular dynamics simulations."  Biochemistry 50, 11121-11130 (2011).
PubMed: 21999759

Assembly members:

Assembly members:
trHbN, polymer, 136 residues, 14317.3 Da.
FE, non-polymer, 55.845 Da.
CYN, non-polymer, 26.017 Da.

Natural source:

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 1773   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
trHbN: MGLLSRLRKREPISIYDKIG GHEAIEVVVEDFYVRVLADD QLSAFFSGTNMSRLKGKQVE FFAAALGGPEPYTGAPMKQV HQGRGITMHHFSLVAGHLAD ALTAAGVPSETITEILGVIA PLAVDVTSGESTTAPV

Data typeCount
13C chemical shifts446
15N chemical shifts123
1H chemical shifts555
heteronuclear NOE values303
order parameters101
T1 relaxation values303
T2 relaxation values201

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1trHbN1
2iron ion2
3cyanide ion3

Entities:

Entity 1, trHbN 136 residues - 14317.3 Da.

1   METGLYLEULEUSERARGLEUARGLYSARG
2   GLUPROILESERILETYRASPLYSILEGLY
3   GLYHISGLUALAILEGLUVALVALVALGLU
4   ASPPHETYRVALARGVALLEUALAASPASP
5   GLNLEUSERALAPHEPHESERGLYTHRASN
6   METSERARGLEULYSGLYLYSGLNVALGLU
7   PHEPHEALAALAALALEUGLYGLYPROGLU
8   PROTYRTHRGLYALAPROMETLYSGLNVAL
9   HISGLNGLYARGGLYILETHRMETHISHIS
10   PHESERLEUVALALAGLYHISLEUALAASP
11   ALALEUTHRALAALAGLYVALPROSERGLU
12   THRILETHRGLUILELEUGLYVALILEALA
13   PROLEUALAVALASPVALTHRSERGLYGLU
14   SERTHRTHRALAPROVAL

Entity 2, iron ion - Fe - 55.845 Da.

1   FE

Entity 3, cyanide ion - C N - 26.017 Da.

1   CYN

Related Database Links:

PDB 1IDR 1RTE 1S56 1S61 2GKM 2GKN 2GL3 2GLN 5AB8
DBJ BAH25857 BAL65514 BAQ05541 GAA45289
EMBL CAB56291 CAL71581 CCC26641 CCC43897 CCC64155
GB AAD28758 AAK45860 ABQ73299 ABR05918 ACT25509
REF NP_216058 NP_855221 WP_003407730 WP_003911564 WP_015289952
SP P0A593 P0A594 P9WN24 P9WN25
AlphaFold P0A593 P0A594 P9WN24 P9WN25

Download HSQC peak lists in one of the following formats:
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SPARKY: Backbone or all simulated peaks