BMRB Entry 7196

BMRB Entry DOI: doi:10.13018/BMR7196

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Title:
1H and 15N chemical shifts of NH groups in DHFR complexes with brodimoprim analogues 3-5, methotrexate and trimethoprim
Deposition date:
2006-06-28
Original release date:
2008-11-11
Authors:
Morgan, W.; Birdsall, B.; Nieto, P.; Gargaro, A.; Feeney, J.
Citation:

Citation: Morgan, W.; Birdsall, B.; Nieto, P.; Gargaro, A.; Feeney, J.. "1H/15N HSQC NMR studies of ligand carboxylate group interactions with arginine residues in complexes of brodimoprim analogues and Lactobacillus casei dihydrofolate reductase"  Biochemistry 38, 2127-2134 (1999).
PubMed: 10026296

Assembly members:

Assembly members:
dihydrofolate reductase, polymer, 162 residues, 454.439 Da.
MTX, non-polymer, 454.439 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
15N chemical shifts151
1H chemical shifts152

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1dihydrofolate reductase1
2METHOTREXATE2

Entities:

Entity 1, dihydrofolate reductase 162 residues - 454.439 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 2, METHOTREXATE - C20 H22 N8 O5 - 454.439 Da.

1   MTX

Related Database Links:

BMRB 17125 17310 17311 3524 3525 4262 5396 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