BMRB Entry 17886

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17886
MolProbity Validation Chart

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Title:
Backbone chemical shift assignments of holo-acyl carrier protein of Leishmania major
Deposition date:
2011-08-27
Original release date:
2012-02-01
Authors:
Kumar, Ambrish; Surolia, Avadhesha; Sundd, Monica
Citation:

Citation: Kumar, Ambrish; Surolia, Avadhesha; Sundd, Monica. "Backbone and side chain 1H, 15N & 13C chemical shift assignments of the holo-acyl carrier protein (ACP) of Leishmania major"  Biomol. NMR Assignments 6, 221-223 (2012).
PubMed: 22278299

Assembly members:

Assembly members:
acyl_carrier_protein_polypetide, polymer, 80 residues, 8996.2 Da.
PNS, non-polymer, 358.348 Da.

Natural source:

Natural source:   Common Name: Leishmania major   Taxonomy ID: 347515   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Leishmania major

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Leishmania major   Vector: pET 28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
acyl_carrier_protein_polypetide: MNDVLTRVLEVVKNFEKVDA SKVTPESHFVKDLGLNSLDV VEVVFAIEQEFILDIPDHDA EKIQSIPDAVEYIAQNPMAK

Data sets:
Data typeCount
13C chemical shifts333
15N chemical shifts83
1H chemical shifts519

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1holo acyl carrier protein1
24'-PHOSPHOPANTETHEINE2

Entities:

Entity 1, holo acyl carrier protein 80 residues - 8996.2 Da.

1   METASNASPVALLEUTHRARGVALLEUGLU
2   VALVALLYSASNPHEGLULYSVALASPALA
3   SERLYSVALTHRPROGLUSERHISPHEVAL
4   LYSASPLEUGLYLEUASNSERLEUASPVAL
5   VALGLUVALVALPHEALAILEGLUGLNGLU
6   PHEILELEUASPILEPROASPHISASPALA
7   GLULYSILEGLNSERILEPROASPALAVAL
8   GLUTYRILEALAGLNASNPROMETALALYS

Entity 2, 4'-PHOSPHOPANTETHEINE - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Samples:

sample_1: acyl_carrier_protein_polypetide 2 mM; 4'-PHOSPHOPANTETHEINE 2 mM; sodium phosphate, [U-99% 13C; U-99% 15N], 1 – 2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 6.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

UNP E9AD06
PDB
EMBL CAM45307 CAM69012 CBZ12089 CBZ35190 CCW61043
GB AIN99409 EPY25189 KPI86796
REF XP_001466301 XP_001565791 XP_003721835 XP_003861887 XP_010700116
AlphaFold E9AD06

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