BMRB Entry 16916

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16916

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Title:
Backbone 1H,13C, and 15N assignments of Streptococcus pneumoniae mevalonate diphosphate decarboxylase (spMDD) in complex with mevalonate 5-diphosphate (DPM) and AMPPCP
Deposition date:
2010-05-08
Original release date:
2010-09-08
Authors:
Reuther, Guido; Harris, Richard; Girvin, Mark; Leyh, Thomas
Citation:

Citation: Reuther, Guido; Harris, Richard; Girvin, Mark; Leyh, Thomas. "Backbone (1)H, (13)C, (15)N NMR assignments of the unliganded and substrate ternary complex forms of mevalonate diphosphate decarboxylase from Streptococcus pneumoniae."  Biomol. NMR Assignments 5, 11-14 (2011).
PubMed: 20737255

Assembly members:

Assembly members:
mevalonate_diphosphate_decarboxylase, polymer, 317 residues, Formula weight is not available
m-5-dip, non-polymer, Formula weight is not available
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, non-polymer, 505.208 Da.
MG, non-polymer, 24.305 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: purified from the natural source   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mevalonate_diphosphate_decarboxylase: MDREPVTVRSYANIAIIKYW GKKKEKEMVPATSSISLTLE NMYTETTLSPLPANVTADEF YINGQLQNEVEHAKMSKIID RYRPAGEGFVRIDTQNNMPT AAGLSSSSSGLSALVKACNA YFKLGLDRSQLAQEAKFASG SSSRSFYGPLGAWDKDSGEI YPVETDLKLAMINLVLEDKK KPISSRDGMKLCVETSTTFD DWVRQSEKDYQDMLIYLKEN DFAKIGELTEKNALAMHATT KTASPAFSYLTDASYEAMDF VRQLREKGEACYFTMDAGPN VKVFCQEKDLEHLSEIFGQR YRLIVSKTKDLSQDDCC

Data sets:
Data typeCount
13C chemical shifts855
15N chemical shifts280
1H chemical shifts280

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1spMDD1
2mevalonate 5-diphosphate2
3adenosine 5'-[beta,gamma-methylene]triphosphate3
4magnesium ion4

Entities:

Entity 1, spMDD 317 residues - Formula weight is not available

1   METASPARGGLUPROVALTHRVALARGSER
2   TYRALAASNILEALAILEILELYSTYRTRP
3   GLYLYSLYSLYSGLULYSGLUMETVALPRO
4   ALATHRSERSERILESERLEUTHRLEUGLU
5   ASNMETTYRTHRGLUTHRTHRLEUSERPRO
6   LEUPROALAASNVALTHRALAASPGLUPHE
7   TYRILEASNGLYGLNLEUGLNASNGLUVAL
8   GLUHISALALYSMETSERLYSILEILEASP
9   ARGTYRARGPROALAGLYGLUGLYPHEVAL
10   ARGILEASPTHRGLNASNASNMETPROTHR
11   ALAALAGLYLEUSERSERSERSERSERGLY
12   LEUSERALALEUVALLYSALACYSASNALA
13   TYRPHELYSLEUGLYLEUASPARGSERGLN
14   LEUALAGLNGLUALALYSPHEALASERGLY
15   SERSERSERARGSERPHETYRGLYPROLEU
16   GLYALATRPASPLYSASPSERGLYGLUILE
17   TYRPROVALGLUTHRASPLEULYSLEUALA
18   METILEASNLEUVALLEUGLUASPLYSLYS
19   LYSPROILESERSERARGASPGLYMETLYS
20   LEUCYSVALGLUTHRSERTHRTHRPHEASP
21   ASPTRPVALARGGLNSERGLULYSASPTYR
22   GLNASPMETLEUILETYRLEULYSGLUASN
23   ASPPHEALALYSILEGLYGLULEUTHRGLU
24   LYSASNALALEUALAMETHISALATHRTHR
25   LYSTHRALASERPROALAPHESERTYRLEU
26   THRASPALASERTYRGLUALAMETASPPHE
27   VALARGGLNLEUARGGLULYSGLYGLUALA
28   CYSTYRPHETHRMETASPALAGLYPROASN
29   VALLYSVALPHECYSGLNGLULYSASPLEU
30   GLUHISLEUSERGLUILEPHEGLYGLNARG
31   TYRARGLEUILEVALSERLYSTHRLYSASP
32   LEUSERGLNASPASPCYSCYS

Entity 2, mevalonate 5-diphosphate - C6H10O10P2 - Formula weight is not available

1   m-5-dip

Entity 3, adenosine 5'-[beta,gamma-methylene]triphosphate - C11 H18 N5 O12 P3 - 505.208 Da.

1   ACP

Entity 4, magnesium ion - Mg - 24.305 Da.

1   MG

Samples:

sample_1: mevalonate diphosphate decarboxylase, [U-100% 13C; U-100% 15N; U-80% 2H], 1 ± 0.05 mM; mevalonate 5-diphosphate 1.2 ± 0.05 mM; adenosine 5'-[beta,gamma-methylene]triphosphate 10 ± 0.5 mM; HEPES 25 ± 0.01 mM; potassium chloride 50 ± 0.02 mM; DTT 1.6 ± 0.001 mM; magnesium chloride 11 ± 0.06 mM

sample_conditions_1: ionic strength: 268.4 mM; pH: 7.5; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, data analysis, processing

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 800 MHz

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