BMRB Entry 19082

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19082

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

Title:
Backbone and ILV methyl resonance assignments of E. coli thymidylate synthase bound to cofactor and a nucleotide analogue
Deposition date:
2013-03-08
Original release date:
2013-06-04
Authors:
Sapienza, Paul
Citation:

Citation: Sapienza, Paul; Lee, Andrew. "Backbone and ILV methyl resonance assignments of E. coli thymidylate synthase bound to cofactor and a nucleotide analogue."  Biomol. NMR Assignments 8, 195-199 (2014).
PubMed: 23653343

Assembly members:

Assembly members:
thymidylate_synthase, polymer, 264 residues, 30479.6 Da.
5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, non-polymer, 459.456 Da.
5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, non-polymer, 326.172 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
thymidylate_synthase: MKQYLELMQKVLDEGTQKND RTGTGTLSIFGHQMRFNLQD GFPLVTTKRCHLRSIIHELL WFLQGDTNIAYLHENNVTIW DEWADENGDLGPVYGKQWRA WPTPDGRHIDQITTVLNQLK NDPDSRRIIVSAWNVGELDK MALAPCHAFFQFYVADGKLS CQLYQRSCDVFLGLPFNIAS YALLVHMMAQQCDLEVGDFV WTGGDTHLYSNHMDQTHLQL SREPRPLPKLIIKRKPESIF DYRFEDFEIEGYDPHPGIKA PVAI

Data sets:
Data typeCount
13C chemical shifts774
15N chemical shifts230
1H chemical shifts506

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1thymidylate_synthase1
25-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID2
35-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE3

Entities:

Entity 1, thymidylate_synthase 264 residues - 30479.6 Da.

1   METLYSGLNTYRLEUGLULEUMETGLNLYS
2   VALLEUASPGLUGLYTHRGLNLYSASNASP
3   ARGTHRGLYTHRGLYTHRLEUSERILEPHE
4   GLYHISGLNMETARGPHEASNLEUGLNASP
5   GLYPHEPROLEUVALTHRTHRLYSARGCYS
6   HISLEUARGSERILEILEHISGLULEULEU
7   TRPPHELEUGLNGLYASPTHRASNILEALA
8   TYRLEUHISGLUASNASNVALTHRILETRP
9   ASPGLUTRPALAASPGLUASNGLYASPLEU
10   GLYPROVALTYRGLYLYSGLNTRPARGALA
11   TRPPROTHRPROASPGLYARGHISILEASP
12   GLNILETHRTHRVALLEUASNGLNLEULYS
13   ASNASPPROASPSERARGARGILEILEVAL
14   SERALATRPASNVALGLYGLULEUASPLYS
15   METALALEUALAPROCYSHISALAPHEPHE
16   GLNPHETYRVALALAASPGLYLYSLEUSER
17   CYSGLNLEUTYRGLNARGSERCYSASPVAL
18   PHELEUGLYLEUPROPHEASNILEALASER
19   TYRALALEULEUVALHISMETMETALAGLN
20   GLNCYSASPLEUGLUVALGLYASPPHEVAL
21   TRPTHRGLYGLYASPTHRHISLEUTYRSER
22   ASNHISMETASPGLNTHRHISLEUGLNLEU
23   SERARGGLUPROARGPROLEUPROLYSLEU
24   ILEILELYSARGLYSPROGLUSERILEPHE
25   ASPTYRARGPHEGLUASPPHEGLUILEGLU
26   GLYTYRASPPROHISPROGLYILELYSALA
27   PROVALALAILE

Entity 2, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID - C20 H25 N7 O6 - 459.456 Da.

1   C2F

Entity 3, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE - C9 H12 F N2 O8 P - 326.172 Da.

1   UFP

Related Database Links:

PDB 1AIQ 1AJM 1AN5 1AOB 1AXW 1BDU 1BID 1BJG 1BQ1 1BQ2 1DDU 1DNA 1EV5 1EV8 1EVF 1EVG 1F4B 1F4C 1F4D 1F4E 1F4F 1F4G 1FFL 1FWM 1JG0 1JTQ 1JTU 1JUT 1KCE 1KZI 1KZJ 1NCE 1QQQ 1SYN 1TDU 1TJS 1TLC 1TLS 1TRG 1TSD 1TSN 1TYS 1ZPR 2A9W 2BBQ 2FTN 2FTO 2FTQ 2G8M 2G8X 2KCE 2TSC 2VET 2VF0 3B5B 3B9H 3BFI 3BGX 3BHL 3BHR 3TMS 4GEV 4ISK 4KNZ 4LRR
DBJ BAB37107 BAE76896 BAG78608 BAI27090 BAI32133
EMBL CAA27600 CAP77283 CAQ33153 CAQ90255 CAQ99753
GB AAA24675 AAB40474 AAC75866 AAG57938 AAN41256
REF NP_311711 NP_417304 NP_708616 WP_000607253 WP_000816225
SP A1AF39 A7ZQT3 A8A3W0 B1IU17 B7LF04
AlphaFold A1AF39 A7ZQT3 A8A3W0 B1IU17 B7LF04

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