BMRB Entry 5396

Click here to enlarge.

PDB ID: 1lud
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5396
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:
NMR-based solution structure of the complex of Lactobacillus casei dihydrofolate reductase with trimethoprim and NADPH
Deposition date:
2002-06-14
Original release date:
2002-11-04
Authors:
Polshakov, Vladimir; Smirnov, Eugeni; Birdsall, Berry; Kelly, Geoff; Feeney, James
Citation:

Citation: Polshakov, Vladimir; Smirnov, Eugeni; Birdsall, Berry; Kelly, Geoff; Feeney, James. "Letters to the Editor: NMR-based solution structure of the complex of Lactobacillus casei dihydrofolate reductase with trimethoprim and NADPH "  J. Biomol. NMR 24, 67-70 (2002).

Assembly members:

Assembly members:
Dihydrofolate reductase, polymer, 162 residues, 18300 Da.
NAP, non-polymer, 743.405 Da.
TOP, non-polymer, 290.318 Da.

Natural source:

Natural source:   Common Name: L. casei   Taxonomy ID: 1582   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lactobacillus casei

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: PMT702

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Dihydrofolate reductase: TAFLWAQDRDGLIGKDGHLP WHLPDDLHYFRAQTVGKIMV VGRRTYESFPKRPLPERTNV VLTHQEDYQAQGAVVVHDVA AVFAYAKQHPDQELVIAGGA QIFTAFKDDVDTLLVTRLAG SFEGDTKMIPLNWDDFTKVS SRTVEDTNPALTHTYEVWQK KA

Data sets:
Data typeCount
1H chemical shifts1122
15N chemical shifts172

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1dihydrofolate reductase1
2trimethoprim3
3NADPH2

Entities:

Entity 1, dihydrofolate reductase 162 residues - 18300 Da.

1   THRALAPHELEUTRPALAGLNASPARGASP
2   GLYLEUILEGLYLYSASPGLYHISLEUPRO
3   TRPHISLEUPROASPASPLEUHISTYRPHE
4   ARGALAGLNTHRVALGLYLYSILEMETVAL
5   VALGLYARGARGTHRTYRGLUSERPHEPRO
6   LYSARGPROLEUPROGLUARGTHRASNVAL
7   VALLEUTHRHISGLNGLUASPTYRGLNALA
8   GLNGLYALAVALVALVALHISASPVALALA
9   ALAVALPHEALATYRALALYSGLNHISPRO
10   ASPGLNGLULEUVALILEALAGLYGLYALA
11   GLNILEPHETHRALAPHELYSASPASPVAL
12   ASPTHRLEULEUVALTHRARGLEUALAGLY
13   SERPHEGLUGLYASPTHRLYSMETILEPRO
14   LEUASNTRPASPASPPHETHRLYSVALSER
15   SERARGTHRVALGLUASPTHRASNPROALA
16   LEUTHRHISTHRTYRGLUVALTRPGLNLYS
17   LYSALA

Entity 3, trimethoprim - C14 H18 N4 O3 - 290.318 Da.

1   TOP

Entity 2, NADPH - C21 H28 N7 O17 P3 - 743.405 Da.

1   NAP

Related Database Links:

BMRB 17125 17310 17311 3524 3525 4262 7196 7197 7198 7199 7200
PDB 1AO8 1BZF 1DIS 1DIU 1LUD 2HM9 2HQP 2L28 2LF1 3DFR
DBJ BAI41869
EMBL CAR87293 CAR90253
GB AAA25237 AER64174 AGP71178 AGP74091 EDY98474
PRF 0309272A 1107232A
REF WP_005686414 WP_005689288 WP_014569635 WP_033573062 YP_003171144
SP P00381
AlphaFold P00381

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