BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25005

Title: THREE-DIMENSIONAL STRUCTURE OF CAP-GLY DOMAIN ASSEMBLED ON MICROTUBULES DETERMINED BY MAS NMR SPECTROSCOPY

Authors: Yan, Si; Polenova, Tatyana; Williams, John; Hou, Guangjin; Zhang, Huilan

Citation: Yan, Si; Polenova, Tatyana; Williams, John; Zhang, Huilan; Hou, Guangjin; Ahmed, Shubbir. "THREE-DIMENSIONAL STRUCTURE OF CAP-GLY DOMAIN ASSEMBLED ON MICROTUBULES DETERMINED BY MAS NMR SPECTROSCOPY"  Not known ., .-..

Assembly members:
CAP-Gly, polymer, 89 residues, 7572.696 Da.
Bovine_Alpha_Tubulin, polymer, 451 residues, 7572.696 Da.
Bovine_Beta_Tubulin, polymer, 445 residues, Formula weight is not available
TAXOL, non-polymer, 853.906 Da.
GUANOSINE-5'-TRIPHOSPHATE, non-polymer, 523.180 Da.

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

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

Entity Sequences (FASTA):
CAP-Gly: STEASARPLRVGSRVEVIGK GHRGTVAYVGATLFATGKWV GVILDEAKGKNDGTVQGRKY FTCDEGHGIFVRQSQIQVFE DGADTTSPE
Bovine_Alpha_Tubulin: MRECISIHVGQAGVQIGNAC WELYCLEHGIQPDGQMPSDK TIGGGDDSFNTFFSETGAGK HVPRAVFVDLEPTVIDEVRT GTYRQLFHPEQLITGKEDAA NNYARGHYTIGKEIIDLVLD RIRKLADQCTGLQGFSVFHS FGGGTGSGFTSLLMERLSVD YGKKSKLEFSIYPAPQVSTA VVEPYNSILTTHTTLEHSDC AFMVDNEAIYDICRRNLDIE RPTYTNLNRLIGQIVSSITA SLRFDGALNVDLTEFQTNLV PYPRGHFPLATYAPVISAEK AYHEQLSVAEITNACFEPAN QMVKCDPRHGKYMACCLLYR GDVVPKDVNAAIATIKTKRT IQFVDWCPTGFKVGINYEPP TVVPGGDLAKVQRAVCMLSN TTAIAEAWARLDHKFDLMYA KRAFVHWYVGEGMEEGEFSE AREDMAALEKDYEEVGVDSV EGEGEEEGEEY
Bovine_Beta_Tubulin: MREIVHIQAGQCGNQIGAKF WEVISDEHGIDPTGSYHGDS DLQLERINVYYNEAAGNKYV PRAILVDLEPGTMDSVRSGP FGQIFRPDNFVFGQSGAGNN WAKGHYTEGAELVDSVLDVV RKESESCDCLQGFQLTHSLG GGTGSGMGTLLISKIREEYP DRIMNTFSVVPSPKVSDTVV EPYNATLSVHQLVENTDETY CIDNEALYDICFRTLKLTTP TYGDLNHLVSATMSGVTTCL RFPGQLNADLRKLAVNMVPF PRLHFFMPGFAPLTSRGSQQ YRALTVPELTQQMFDAKNMM AACDPRHGRYLTVAAVFRGR MSMKEVDEQMLNVQNKNSSY FVEWIPNNVKTAVCDIPPRG LKMSATFIGNSTAIQELFKR ISEQFTAMFRRKAFLHWYTG EGMDEMEFTEAESNMNDLVS EYQQYQDATADEQGEFEEEG EEDEA

Data sets:
Data typeCount
13C chemical shifts243
15N chemical shifts69

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CAP-Gly1
2Bovine Alpha Tubulin2
3Bovine Beta Tubulin3
4Taxol4
5GTP5

Entities:

Entity 1, CAP-Gly 89 residues - 7572.696 Da.

1   SERTHRGLUALASERALAARGPROLEUARG
2   VALGLYSERARGVALGLUVALILEGLYLYS
3   GLYHISARGGLYTHRVALALATYRVALGLY
4   ALATHRLEUPHEALATHRGLYLYSTRPVAL
5   GLYVALILELEUASPGLUALALYSGLYLYS
6   ASNASPGLYTHRVALGLNGLYARGLYSTYR
7   PHETHRCYSASPGLUGLYHISGLYILEPHE
8   VALARGGLNSERGLNILEGLNVALPHEGLU
9   ASPGLYALAASPTHRTHRSERPROGLU

Entity 2, Bovine Alpha Tubulin 451 residues - 7572.696 Da.

1   METARGGLUCYSILESERILEHISVALGLY
2   GLNALAGLYVALGLNILEGLYASNALACYS
3   TRPGLULEUTYRCYSLEUGLUHISGLYILE
4   GLNPROASPGLYGLNMETPROSERASPLYS
5   THRILEGLYGLYGLYASPASPSERPHEASN
6   THRPHEPHESERGLUTHRGLYALAGLYLYS
7   HISVALPROARGALAVALPHEVALASPLEU
8   GLUPROTHRVALILEASPGLUVALARGTHR
9   GLYTHRTYRARGGLNLEUPHEHISPROGLU
10   GLNLEUILETHRGLYLYSGLUASPALAALA
11   ASNASNTYRALAARGGLYHISTYRTHRILE
12   GLYLYSGLUILEILEASPLEUVALLEUASP
13   ARGILEARGLYSLEUALAASPGLNCYSTHR
14   GLYLEUGLNGLYPHESERVALPHEHISSER
15   PHEGLYGLYGLYTHRGLYSERGLYPHETHR
16   SERLEULEUMETGLUARGLEUSERVALASP
17   TYRGLYLYSLYSSERLYSLEUGLUPHESER
18   ILETYRPROALAPROGLNVALSERTHRALA
19   VALVALGLUPROTYRASNSERILELEUTHR
20   THRHISTHRTHRLEUGLUHISSERASPCYS
21   ALAPHEMETVALASPASNGLUALAILETYR
22   ASPILECYSARGARGASNLEUASPILEGLU
23   ARGPROTHRTYRTHRASNLEUASNARGLEU
24   ILEGLYGLNILEVALSERSERILETHRALA
25   SERLEUARGPHEASPGLYALALEUASNVAL
26   ASPLEUTHRGLUPHEGLNTHRASNLEUVAL
27   PROTYRPROARGGLYHISPHEPROLEUALA
28   THRTYRALAPROVALILESERALAGLULYS
29   ALATYRHISGLUGLNLEUSERVALALAGLU
30   ILETHRASNALACYSPHEGLUPROALAASN
31   GLNMETVALLYSCYSASPPROARGHISGLY
32   LYSTYRMETALACYSCYSLEULEUTYRARG
33   GLYASPVALVALPROLYSASPVALASNALA
34   ALAILEALATHRILELYSTHRLYSARGTHR
35   ILEGLNPHEVALASPTRPCYSPROTHRGLY
36   PHELYSVALGLYILEASNTYRGLUPROPRO
37   THRVALVALPROGLYGLYASPLEUALALYS
38   VALGLNARGALAVALCYSMETLEUSERASN
39   THRTHRALAILEALAGLUALATRPALAARG
40   LEUASPHISLYSPHEASPLEUMETTYRALA
41   LYSARGALAPHEVALHISTRPTYRVALGLY
42   GLUGLYMETGLUGLUGLYGLUPHESERGLU
43   ALAARGGLUASPMETALAALALEUGLULYS
44   ASPTYRGLUGLUVALGLYVALASPSERVAL
45   GLUGLYGLUGLYGLUGLUGLUGLYGLUGLU
46   TYR

Entity 3, Bovine Beta Tubulin 445 residues - Formula weight is not available

1   METARGGLUILEVALHISILEGLNALAGLY
2   GLNCYSGLYASNGLNILEGLYALALYSPHE
3   TRPGLUVALILESERASPGLUHISGLYILE
4   ASPPROTHRGLYSERTYRHISGLYASPSER
5   ASPLEUGLNLEUGLUARGILEASNVALTYR
6   TYRASNGLUALAALAGLYASNLYSTYRVAL
7   PROARGALAILELEUVALASPLEUGLUPRO
8   GLYTHRMETASPSERVALARGSERGLYPRO
9   PHEGLYGLNILEPHEARGPROASPASNPHE
10   VALPHEGLYGLNSERGLYALAGLYASNASN
11   TRPALALYSGLYHISTYRTHRGLUGLYALA
12   GLULEUVALASPSERVALLEUASPVALVAL
13   ARGLYSGLUSERGLUSERCYSASPCYSLEU
14   GLNGLYPHEGLNLEUTHRHISSERLEUGLY
15   GLYGLYTHRGLYSERGLYMETGLYTHRLEU
16   LEUILESERLYSILEARGGLUGLUTYRPRO
17   ASPARGILEMETASNTHRPHESERVALVAL
18   PROSERPROLYSVALSERASPTHRVALVAL
19   GLUPROTYRASNALATHRLEUSERVALHIS
20   GLNLEUVALGLUASNTHRASPGLUTHRTYR
21   CYSILEASPASNGLUALALEUTYRASPILE
22   CYSPHEARGTHRLEULYSLEUTHRTHRPRO
23   THRTYRGLYASPLEUASNHISLEUVALSER
24   ALATHRMETSERGLYVALTHRTHRCYSLEU
25   ARGPHEPROGLYGLNLEUASNALAASPLEU
26   ARGLYSLEUALAVALASNMETVALPROPHE
27   PROARGLEUHISPHEPHEMETPROGLYPHE
28   ALAPROLEUTHRSERARGGLYSERGLNGLN
29   TYRARGALALEUTHRVALPROGLULEUTHR
30   GLNGLNMETPHEASPALALYSASNMETMET
31   ALAALACYSASPPROARGHISGLYARGTYR
32   LEUTHRVALALAALAVALPHEARGGLYARG
33   METSERMETLYSGLUVALASPGLUGLNMET
34   LEUASNVALGLNASNLYSASNSERSERTYR
35   PHEVALGLUTRPILEPROASNASNVALLYS
36   THRALAVALCYSASPILEPROPROARGGLY
37   LEULYSMETSERALATHRPHEILEGLYASN
38   SERTHRALAILEGLNGLULEUPHELYSARG
39   ILESERGLUGLNPHETHRALAMETPHEARG
40   ARGLYSALAPHELEUHISTRPTYRTHRGLY
41   GLUGLYMETASPGLUMETGLUPHETHRGLU
42   ALAGLUSERASNMETASNASPLEUVALSER
43   GLUTYRGLNGLNTYRGLNASPALATHRALA
44   ASPGLUGLNGLYGLUPHEGLUGLUGLUGLY
45   GLUGLUASPGLUALA

Entity 4, Taxol - C47 H51 N O14 - 853.906 Da.

1   TA1

Entity 5, GTP - C10 H16 N5 O14 P3 - 523.180 Da.

1   GTP

Samples:

sample_1: CAP-Gly, [U-100% 13C; U-100% 15N], 1.4 – 2.0 mg; Bovine Alpha Tubulin 5 mg; Bovine Beta Tubulin 5 mg; Taxol 5 uM; GTP 1 mM; GDP mM; H2O 100%

sample_2: CAP-Gly, [2-13C]-glucose; U-100% 15N, 1.4 – 2.0 mg; Bovine Alpha Tubulin 5 mg; Bovine Beta Tubulin 5 mg; Taxol 5 uM; GTP 1 mM; GDP mM; H2O 100%

sample_3: CAP-Gly, [1,3-13C]-glucose; U-100% 15N, 1.4 – 2.0 mg; Bovine Alpha Tubulin 5 mg; Bovine Beta Tubulin 5 mg; Taxol 5 uM; GTP 1 mM; GDP mM; H2O 100%

sample_conditions_1: ionic strength: 0.0737 M; pH: 6.0; pressure: 1 atm; temperature: 244 K

Experiments:

NameSampleSample stateSample conditions
2D CORDsample_1solidsample_conditions_1
2D CORDsample_1solidsample_conditions_1
2D CORDsample_1solidsample_conditions_1
2D NCACXsample_1solidsample_conditions_1
2D NCACXsample_3solidsample_conditions_1
2D PAIN-CPsample_2solidsample_conditions_1
2D NCOCXsample_1solidsample_conditions_1
3D NCACXsample_1solidsample_conditions_1
3D NCOCXsample_1solidsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, peak picking

TALOS vTALOS+, Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax - torsion angle prediction

X-PLOR_NIH v2.35, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 850 MHz

Related Database Links:

BMRB 17937 17938 19025 19031
PDB
DBJ BAE34241 BAE37079 BAE42418 BAE42912 BAE87998
EMBL CAA44091 CAA67333 CAE45882 CAH10572 CAH10575
GB AAB57773 AAD03694 AAD55811 AAH66061 AAI42510
REF NP_001092404 NP_001127253 NP_001128512 NP_001177765 NP_001177766
SP O08788 P28023 Q14203
TPG DAA24857