BMRB Entry 4027

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4027

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Title:
Sequence Specific 1H, 13C, and 15N assignment of the S. aureus TMP-resistant dihydrofolate reductase mutant DHFR(F98Y) in the ternary complex with TMP and NADPH
Deposition date:
1997-03-11
Original release date:
1999-10-10
Authors:
Altmann, Serge; Labhardt, Alexander; Senn, Hans; Wuthrich, Kurt
Citation:

Citation: Altmann, Serge; Labhardt, Alexander; Senn, Hans; Wuthrich, Kurt. "Sequence-Specific 1H, 13C, and 15N assignment of the TMP-resistant dihydrofolate reductase mutant DHFR(F98Y) in the ternary complex with TMP and NADPH"  J. Biomol. NMR 9, 445-446 (1997).

Assembly members:

Assembly members:
Dihydrofolate reductase, polymer, 158 residues, Formula weight is not available
TMP, non-polymer, 322.208 Da.
NDP, non-polymer, 745.421 Da.

Natural source:

Natural source:   Common Name: S. aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Dihydrofolate reductase: TLSILVAHDLQRVIGFENQL PWHLPNDLKHVKKLSTGHTL VMGRKTFESIGKPLPNRRNV VLTSDTSFNVEGVDVIHSIE DIYQLPGHVFIFGGQTLYEE MIDKVDDMYITVIEGKFRGD TFFPPYTFEDWEVASSVEGK LDEKNTIPHTFLHLIRKK

Data sets:
Data typeCount
13C chemical shifts673
15N chemical shifts165
1H chemical shifts1152

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DHFR(F98Y)1
2trimethoprim2
3NADPH3

Entities:

Entity 1, DHFR(F98Y) 158 residues - Formula weight is not available

1   THRLEUSERILELEUVALALAHISASPLEU
2   GLNARGVALILEGLYPHEGLUASNGLNLEU
3   PROTRPHISLEUPROASNASPLEULYSHIS
4   VALLYSLYSLEUSERTHRGLYHISTHRLEU
5   VALMETGLYARGLYSTHRPHEGLUSERILE
6   GLYLYSPROLEUPROASNARGARGASNVAL
7   VALLEUTHRSERASPTHRSERPHEASNVAL
8   GLUGLYVALASPVALILEHISSERILEGLU
9   ASPILETYRGLNLEUPROGLYHISVALPHE
10   ILEPHEGLYGLYGLNTHRLEUTYRGLUGLU
11   METILEASPLYSVALASPASPMETTYRILE
12   THRVALILEGLUGLYLYSPHEARGGLYASP
13   THRPHEPHEPROPROTYRTHRPHEGLUASP
14   TRPGLUVALALASERSERVALGLUGLYLYS
15   LEUASPGLULYSASNTHRILEPROHISTHR
16   PHELEUHISLEUILEARGLYSLYS

Entity 2, trimethoprim - C10 H15 N2 O8 P - 322.208 Da.

1   TMP

Entity 3, NADPH - C21 H30 N7 O17 P3 - 745.421 Da.

1   NDP

Samples:

sample_one: Dihydrofolate reductase 2.0 mM; D2O 10%; H2O 90%; NaCL 68.5 mM; KCL 1.35 mM; KH2PO4 0.75 mM; Na2HPO4 4.0 mM

sample_two: Dihydrofolate reductase, [U-15N], 1.0 mM; D2O 10%; H2O 90%; NaCL 68.5 mM; KCL 1.35 mM; KH2PO4 0.75 mM; Na2HPO4 4.0 mM

sample_three: Dihydrofolate reductase, [U-13C; U-15N], 1.3 mM; D2O 10%; H2O 90%; NaCL 68.5 mM; KCL 1.35 mM; KH2PO4 0.75 mM; Na2HPO4 4.0 mM

sample_four: Dihydrofolate reductase, [U-13C; U-15N], 1.3 mM; D2O 100%; NaCL 68.5 mM; KCL 1.35 mM; KH2PO4 0.75 mM; Na2HPO4 4.0 mM

sample_conditions_DHFR(F98Y): pH: 7.3 na; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
not availablenot availablenot availablesample_conditions_DHFR(F98Y)

Software:

No software information available

NMR spectrometers:

  • Bruker AMX 600 MHz

Related Database Links:

PDB
DBJ BAB42519 BAB57588 BAB95181 BAF67609 BAF78297
EMBL CAA78910 CAG40436 CAG43145 CAI80970 CAQ49851
GB AAW36662 ABD22190 ABD30526 ABQ49280 ABR52364
REF WP_000175739 WP_000175740 WP_000175741 WP_000175742 WP_000175743
SP P0A016 P0A017 P99079 Q5HFZ7 Q6G9D5
AlphaFold P0A016 P0A017 P99079 Q5HFZ7 Q6G9D5

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