BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 6055

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6055

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Title: 1H, 13C, and 15N resonance assignment of the 23 kDa organomercurial lyase in its free and mercury-bound forms   PubMed: 15213467

Deposition date: 2003-12-19 Original release date: 2004-07-06

Authors: Di Lello, Paola; Benison, Gregory; Omichinski, James; Legault, Pascale

Citation: Di Lello, Paola; Benison, Gregory; Omichinski, James; Legault, Pascale. "Letter to the Editor: 1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in its free and mercury-bound forms "  J. Biomol. NMR 29, 457-458 (2004).

Assembly members:
Organomercurial Lyase, polymer, 212 residues, Formula weight is not available
HG, non-polymer, 200.590 Da.
2,3-DIHYDROXY-1,4-DITHIOBUTANE, non-polymer, 154.251 Da.

Natural source:   Common Name: Escherichia coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:   Production method: recombinant technology   Vector: Pet21b

Entity Sequences (FASTA):
Organomercurial Lyase: MKLAPYILELLTSVNRTNGT ADLLVPLLRELAKGRPVSRT TLAGILDWPAERVAAVLEQA TSTEYDKDGNIIGYGLTLRE TSYVFEIDDRRLYAWCALDT LIFPALIGRTARVSSHCAAT GAPVSLTVSPSEIQAVEPAG MAVSLVLPQEAADVRQSFCC HVHFFASVPTAEDWASKHQG LEGLAIVSVHEAFGLGQEFN RHLLQTMSSRTP

Data sets:
Data typeCount
1H chemical shifts1064
13C chemical shifts670
15N chemical shifts178

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1merB1
2MERCURY (II) ION2
32,3-DIHYDROXY-1,4-DITHIOBUTANE3

Entities:

Entity 1, merB 212 residues - Formula weight is not available

1   METLYSLEUALAPROTYRILELEUGLULEU
2   LEUTHRSERVALASNARGTHRASNGLYTHR
3   ALAASPLEULEUVALPROLEULEUARGGLU
4   LEUALALYSGLYARGPROVALSERARGTHR
5   THRLEUALAGLYILELEUASPTRPPROALA
6   GLUARGVALALAALAVALLEUGLUGLNALA
7   THRSERTHRGLUTYRASPLYSASPGLYASN
8   ILEILEGLYTYRGLYLEUTHRLEUARGGLU
9   THRSERTYRVALPHEGLUILEASPASPARG
10   ARGLEUTYRALATRPCYSALALEUASPTHR
11   LEUILEPHEPROALALEUILEGLYARGTHR
12   ALAARGVALSERSERHISCYSALAALATHR
13   GLYALAPROVALSERLEUTHRVALSERPRO
14   SERGLUILEGLNALAVALGLUPROALAGLY
15   METALAVALSERLEUVALLEUPROGLNGLU
16   ALAALAASPVALARGGLNSERPHECYSCYS
17   HISVALHISPHEPHEALASERVALPROTHR
18   ALAGLUASPTRPALASERLYSHISGLNGLY
19   LEUGLUGLYLEUALAILEVALSERVALHIS
20   GLUALAPHEGLYLEUGLYGLNGLUPHEASN
21   ARGHISLEULEUGLNTHRMETSERSERARG
22   THRPRO

Entity 2, MERCURY (II) ION - Hg - 200.590 Da.

1   HG

Entity 3, 2,3-DIHYDROXY-1,4-DITHIOBUTANE 1 residues - C4 H10 O2 S2 - 154.251 Da.

1   DTT

Samples:

sample_1: Organomercurial Lyase, [U-98% 15N; U-98% 13C], 1.2 mM; sodium phosphate 10 mM; sodium chloride 10 mM; DTT 7.5 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_2: Organomercurial Lyase, [U-98% 15N; U-98% 13C], 1.2 mM; sodium phosphate 10 mM; sodium chloride 10 mM; DTT 7.5 mM; EDTA 1 mM; D2O 99.9%

sample_3: Organomercurial Lyase, [U-98% 15N; U-98% 13C; U-70% 2H], 1.2 mM; sodium phosphate 10 mM; sodium chloride 10 mM; DTT 7.5 mM; EDTA 1 mM; H2O 90%; D2O 10%

h2o: pH: 7.5 na; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCnot availablenot availableh2o
HNCACBnot availablenot availableh2o
(HB)CBCA(CO)NNHnot availablenot availableh2o
HNCOnot availablenot availableh2o
HCCH-COSYnot availablenot availableh2o
HCCH-TOCSYnot availablenot availableh2o
CT-HNCAnot availablenot availableh2o
CT-HN(CO)CAnot availablenot availableh2o
C(CC)TOCSY-NNHnot availablenot availableh2o
H(CC-CO)NH-TOCSYnot availablenot availableh2o
13C-filtered 1D WATERGATEnot availablenot availableh2o

Software:

NMRPipe v2.0 - processing

NMRView v5.0.3 - peak assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

SWISS-PROT Q91UN2 P77072 P62225 P08664
REF YP_758686 YP_001102036 NP_361074
GenBank ABO41205 AAR91470 AAD46510 AAB49639 AAA88369
EMBL CAK12695 CAC79205
DBJ BAA36432
PDB
BMRB 6047

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