BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 27202

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27202

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Title: Extrinsic methylthiocysteine labels of cytosolic domain of NADPH cytochrome P450 oxidoreductase   PubMed: 29168021

Deposition date: 2017-08-06 Original release date: 2017-12-11

Authors: Galiakhmetov, Azamat; Kovrigin, Evgueni

Citation: Galiakhmetov, Azamat; Kovrigina, Elizaveta; Xia, Chuanwu; Kim, Jung-Ja; Kovrigin, Evgueni. "Application of methyl-TROSY to a large paramagnetic membrane protein without perdeuteration: 13C-MMTS-labeled NADPH-cytochrome P450 oxidoreductase"  J. Biomol. NMR 70, 21-31 (2018).

Assembly members:
oxidoreductase, polymer, 622 residues, Formula weight is not available

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pOR263

Entity Sequences (FASTA):
oxidoreductase: IQTTAPPVKESSFVEKMKKT GRNIIVFYGSQTGTAEEFAN RLSKDAHRYGMRGMSADPEE YDLADLSSLPEIDKSLVVFC MATYGEGDPTDNAQDFYDWL QETDVDLTGVKFAVFGLGNK TYEHFNAMGKYVDQRLEQLG AQRIFELGLGDDDGNLEEDF ITWREQFWPAVCEFFGVEAT GEESSIRQYELVVHEDMDVA KVYTGEMGRLKSYENQKPPF DAKNPFLAAVTANRKLNQGT ERHLMHLELDISDSKIRYES GDHVAVYPANDSALVNQIGE ILGADLDVIMSLNNLDEESN KKHPFPCPTTYRTALTYYLD ITNPPRTNVLYELAQYASEP SEQEHLHKMASSSGEGKELY LSWVVEARRHILAILQDYPS LRPPIDHLCELLPRLQARYY SIASSSKVHPNSVHICAVAV EYEAKSGRVNKGVATSWLRA KEPAGENGGRALVPMFVRKS QFRLPFKSTTPVIMVGPGTG IAPFMGFIQERAWLREQGKE VGETLLYYGCRRSDEDYLYR EELARFHKDGALTQLNVAFS REQAHKVYVQHLLKRDREHL WKLIHEGGAHIYVCGDARNM AKDVQNTFYDIVAEFGPMEH TQAVDYVKKLMTKGRYSLDV WS

Data sets:
Data typeCount
13C chemical shifts6
1H chemical shifts6

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1POR1

Entities:

Entity 1, POR 622 residues - Formula weight is not available

1   ILEGLNTHRTHRALAPROPROVALLYSGLU
2   SERSERPHEVALGLULYSMETLYSLYSTHR
3   GLYARGASNILEILEVALPHETYRGLYSER
4   GLNTHRGLYTHRALAGLUGLUPHEALAASN
5   ARGLEUSERLYSASPALAHISARGTYRGLY
6   METARGGLYMETSERALAASPPROGLUGLU
7   TYRASPLEUALAASPLEUSERSERLEUPRO
8   GLUILEASPLYSSERLEUVALVALPHECYS
9   METALATHRTYRGLYGLUGLYASPPROTHR
10   ASPASNALAGLNASPPHETYRASPTRPLEU
11   GLNGLUTHRASPVALASPLEUTHRGLYVAL
12   LYSPHEALAVALPHEGLYLEUGLYASNLYS
13   THRTYRGLUHISPHEASNALAMETGLYLYS
14   TYRVALASPGLNARGLEUGLUGLNLEUGLY
15   ALAGLNARGILEPHEGLULEUGLYLEUGLY
16   ASPASPASPGLYASNLEUGLUGLUASPPHE
17   ILETHRTRPARGGLUGLNPHETRPPROALA
18   VALCYSGLUPHEPHEGLYVALGLUALATHR
19   GLYGLUGLUSERSERILEARGGLNTYRGLU
20   LEUVALVALHISGLUASPMETASPVALALA
21   LYSVALTYRTHRGLYGLUMETGLYARGLEU
22   LYSSERTYRGLUASNGLNLYSPROPROPHE
23   ASPALALYSASNPROPHELEUALAALAVAL
24   THRALAASNARGLYSLEUASNGLNGLYTHR
25   GLUARGHISLEUMETHISLEUGLULEUASP
26   ILESERASPSERLYSILEARGTYRGLUSER
27   GLYASPHISVALALAVALTYRPROALAASN
28   ASPSERALALEUVALASNGLNILEGLYGLU
29   ILELEUGLYALAASPLEUASPVALILEMET
30   SERLEUASNASNLEUASPGLUGLUSERASN
31   LYSLYSHISPROPHEPROCYSPROTHRTHR
32   TYRARGTHRALALEUTHRTYRTYRLEUASP
33   ILETHRASNPROPROARGTHRASNVALLEU
34   TYRGLULEUALAGLNTYRALASERGLUPRO
35   SERGLUGLNGLUHISLEUHISLYSMETALA
36   SERSERSERGLYGLUGLYLYSGLULEUTYR
37   LEUSERTRPVALVALGLUALAARGARGHIS
38   ILELEUALAILELEUGLNASPTYRPROSER
39   LEUARGPROPROILEASPHISLEUCYSGLU
40   LEULEUPROARGLEUGLNALAARGTYRTYR
41   SERILEALASERSERSERLYSVALHISPRO
42   ASNSERVALHISILECYSALAVALALAVAL
43   GLUTYRGLUALALYSSERGLYARGVALASN
44   LYSGLYVALALATHRSERTRPLEUARGALA
45   LYSGLUPROALAGLYGLUASNGLYGLYARG
46   ALALEUVALPROMETPHEVALARGLYSSER
47   GLNPHEARGLEUPROPHELYSSERTHRTHR
48   PROVALILEMETVALGLYPROGLYTHRGLY
49   ILEALAPROPHEMETGLYPHEILEGLNGLU
50   ARGALATRPLEUARGGLUGLNGLYLYSGLU
51   VALGLYGLUTHRLEULEUTYRTYRGLYCYS
52   ARGARGSERASPGLUASPTYRLEUTYRARG
53   GLUGLULEUALAARGPHEHISLYSASPGLY
54   ALALEUTHRGLNLEUASNVALALAPHESER
55   ARGGLUGLNALAHISLYSVALTYRVALGLN
56   HISLEULEULYSARGASPARGGLUHISLEU
57   TRPLYSLEUILEHISGLUGLYGLYALAHIS
58   ILETYRVALCYSGLYASPALAARGASNMET
59   ALALYSASPVALGLNASNTHRPHETYRASP
60   ILEVALALAGLUPHEGLYPROMETGLUHIS
61   THRGLNALAVALASPTYRVALLYSLYSLEU
62   METTHRLYSGLYARGTYRSERLEUASPVAL
63   TRPSER

Samples:

sample_1: oxidoreductase mM; sodium phosphate 1 mM; potassium phosphate 10 mM; sodium chloride 137 mM; potassium chloride 2.7 mM

methylthiocysteine: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicmethylthiocysteine

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 600 MHz