BMRB Entry 25356

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25356

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Title:
Thiopurine methyltransferase *1 15-245
Deposition date:
2014-11-20
Original release date:
2014-12-19
Authors:
Lundstrom, Patrik; Niklasson, Markus
Citation:

Citation: Niklasson, Markus; Ahlner, Alexandra; Andresen, Cecilia; Marsh, Joseph; Lundstrom, Patrik. "Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches"  PLOS Comput. Biol. 11, e1004022-e1004022 (2015).
PubMed: 25569628

Assembly members:

Assembly members:
TPMT_1_16-245, polymer, 249 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: N.A.

Entity Sequences (FASTA):

Entity Sequences (FASTA):
TPMT_1_16-245: MGSSHHHHHHSSGLVPRGST EVQKNQVLTLEEWQDKWVNG KTAFHQEQGHQLLKKHLDTF LKGKSGLRVFFPLCGKAVEM KWFADRGHSVVGVEISELGI QEFFTEQNLSYSEEPITEIP GTKVFKSSSGNISLYCCSIF DLPRTNIGKFDMIWDRGALV AINPGDRKCYADTMFSLLGK KFQYLLCVLSYDPTKHPGPP FYVPHAEIERLFGKICNIRC LEKVDAFEERHKSWGIDCLF EKLYLLTEK

Data sets:
Data typeCount
13C chemical shifts488
15N chemical shifts157
1H chemical shifts157

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1TPMT *1 16-2451

Entities:

Entity 1, TPMT *1 16-245 249 residues - Formula weight is not available

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERTHR
3   GLUVALGLNLYSASNGLNVALLEUTHRLEU
4   GLUGLUTRPGLNASPLYSTRPVALASNGLY
5   LYSTHRALAPHEHISGLNGLUGLNGLYHIS
6   GLNLEULEULYSLYSHISLEUASPTHRPHE
7   LEULYSGLYLYSSERGLYLEUARGVALPHE
8   PHEPROLEUCYSGLYLYSALAVALGLUMET
9   LYSTRPPHEALAASPARGGLYHISSERVAL
10   VALGLYVALGLUILESERGLULEUGLYILE
11   GLNGLUPHEPHETHRGLUGLNASNLEUSER
12   TYRSERGLUGLUPROILETHRGLUILEPRO
13   GLYTHRLYSVALPHELYSSERSERSERGLY
14   ASNILESERLEUTYRCYSCYSSERILEPHE
15   ASPLEUPROARGTHRASNILEGLYLYSPHE
16   ASPMETILETRPASPARGGLYALALEUVAL
17   ALAILEASNPROGLYASPARGLYSCYSTYR
18   ALAASPTHRMETPHESERLEULEUGLYLYS
19   LYSPHEGLNTYRLEULEUCYSVALLEUSER
20   TYRASPPROTHRLYSHISPROGLYPROPRO
21   PHETYRVALPROHISALAGLUILEGLUARG
22   LEUPHEGLYLYSILECYSASNILEARGCYS
23   LEUGLULYSVALASPALAPHEGLUGLUARG
24   HISLYSSERTRPGLYILEASPCYSLEUPHE
25   GLULYSLEUTYRLEULEUTHRGLULYS

Samples:

sample_1: TPMT *1 16-245, [U-100% 13C; U-100% 15N; U-80% 2H], 0.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 95 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)CBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

COMPASS, Niklasson, Ahlner, Andresen, Marsh, Lundstrom - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

PDB
DBJ BAA97037 BAJ20858
GB AAB27277 AAB71625 AAB71626 AAB71627 AAB71629
REF NP_000358 NP_001030596 XP_003823229 XP_004043361 XP_008975026
SP P51580 Q3BCR3 Q3BCR8
AlphaFold P51580 Q3BCR3 Q3BCR8

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