BMRB Entry 4262

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PDB ID: 1bzf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4262
MolProbity Validation Chart

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Title:
NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE
Deposition date:
1998-10-30
Original release date:
2000-05-22
Authors:
POLSHAKOV, V.; BIRDSALL, B.; FRENKIEL, T.; GARGARO, A.; FEENEY, J.
Citation:

Citation: POLSHAKOV, V.; BIRDSALL, B.; FRENKIEL, T.; GARGARO, A.; FEENEY, J.. "Structure and dynamics in solution of the complex of Lactobillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate""  Protein Sci. 8, 467-481 (1999).

Assembly members:

Assembly members:
DIHYDROFOLATE REDUCTASE, polymer, 162 residues, 18300 Da.
TMQ, non-polymer, 370.426 Da.

Natural source:

Natural source:   Common Name: Lactobacillus 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: PLASMID

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DIHYDROFOLATE REDUCTASE: TAFLWAQDRDGLIGKDGHLP WHLPDDLHYFRAQTVGKIMV VGRRTYESFPKRPLPERTNV VLTHQEDYQAQGAVVVHDVA AVFAYAKQHPDQELVIAGGA QIFTAFKDDVDTLLVTRLAG SFEGDTKMIPLNWDDFTKVS SRTVEDTNPALTHTYEVWQK KA

Data sets:
Data typeCount
1H chemical shifts1082
15N chemical shifts168

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1DIHYDROFOLATE REDUCTASE1
2TRIMETREXATE2

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 2, TRIMETREXATE - C19 H24 N5 O3 - 370.426 Da.

1   TMQ

Related Database Links:

BMRB 17125 17310 17311 3524 3525
PDB 1AO8 1BZF 1DIS 1DIU 1LUD 2HM9 2HQP 2L28 2LF1 3DFR
DBJ BAI41869
EMBL CAR87293 CAR90253 CDN23977
GB AAA25237 AER64174 AGP71178 AGP74091 EDY98474
PRF 0309272A 1107232A
REF WP_005686414 WP_005689288 WP_014569635 WP_033573062 WP_047676754
SP P00381
AlphaFold P00381

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