BMRB Entry 5866

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5866
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution Structure and NH Exchange Studies of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly-bound Product
Deposition date:
2003-07-14
Original release date:
2003-10-06
Authors:
Massiah, M.; Saraswat, V.; Azurmendi, H.; Mildvan, A.
Citation:

Citation: Massiah, M.; Saraswat, V.; Azurmendi, H.; Mildvan, A.. "Solution Structure and NH Exchange Studies of the MutT Pyrophosphohydrolase Complexed with Mg(2+) and 8-oxo-dGMP, a Tightly Bound Product "  Biochemistry 42, 10140-10154 (2003).
PubMed: 12939141

Assembly members:

Assembly members:
Mutator mutT protein, polymer, 129 residues, Formula weight is not available
8OG, non-polymer, 363.221 Da.
MG, non-polymer, 24.305 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Mutator mutT protein: MKKLQIAVGIIRNENNEIFI TRRAADAHMANKLEFPGGKI EMGETPEQAVVRELQEEVGI TPQHFSLFEKLEYEFPDRHI TLWFWLVERWEGEPWGKEGQ PGEWMSLVGLNADDFPPANE PVIAKLKRL

Data sets:
Data typeCount
1H chemical shifts822
13C chemical shifts282
15N chemical shifts122

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Mutator mutT protein1
28-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE2
3MAGNESIUM ION (II)3

Entities:

Entity 1, Mutator mutT protein 129 residues - Formula weight is not available

1   METLYSLYSLEUGLNILEALAVALGLYILE
2   ILEARGASNGLUASNASNGLUILEPHEILE
3   THRARGARGALAALAASPALAHISMETALA
4   ASNLYSLEUGLUPHEPROGLYGLYLYSILE
5   GLUMETGLYGLUTHRPROGLUGLNALAVAL
6   VALARGGLULEUGLNGLUGLUVALGLYILE
7   THRPROGLNHISPHESERLEUPHEGLULYS
8   LEUGLUTYRGLUPHEPROASPARGHISILE
9   THRLEUTRPPHETRPLEUVALGLUARGTRP
10   GLUGLYGLUPROTRPGLYLYSGLUGLYGLN
11   PROGLYGLUTRPMETSERLEUVALGLYLEU
12   ASNALAASPASPPHEPROPROALAASNGLU
13   PROVALILEALALYSLEULYSARGLEU

Entity 2, 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE - C10 H14 N5 O8 P - 363.221 Da.

1   8OG

Entity 3, MAGNESIUM ION (II) - Mg - 24.305 Da.

1   MG

Samples:

sample_1: Mutator mutT protein 1 mM; 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE 1.3 mM; MgCl2 15 mM; d11-Tris-HCl 4 mM; NaCl 21 mM; NaN3 0.34 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 7.5; temperature: 295 K; ionic strength: 21 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYsample_1not availablesample_cond_1
2D NOESYsample_1not availablesample_cond_1
2D TOCSYsample_1not availablesample_cond_1
3D 13C-separated NOESYsample_1not availablesample_cond_1
15N-1H IPAP-HSQCsample_1not availablesample_cond_1
12C/13C-filtered-NOESY-HSQCsample_1not availablesample_cond_1
HNCAsample_1not availablesample_cond_1
NHCACBsample_1not availablesample_cond_1

Software:

NMRPipe v2.1 - processing

CNS v1.1 - structure solution, refinement

TALOS v1999.019.15.47 - data analysis

NMR spectrometers:

  • Varian UNITYplus 600 MHz

Related Database Links:

PDB
DBJ BAB33526 BAB96667 BAG75625 BAI23463 BAI28979
EMBL CAA28523 CAA38876 CAB41817 CAB41818 CAB41819
GB AAA24620 AAC73210 AAG54403 AAN41761 AAN78615
REF NP_285795 NP_308130 NP_414641 NP_706054 NP_752071
SP P08337
AlphaFold P08337

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