BMRB Entry 34920

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34920
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Three-dimensional structure of the Merozoite surface protein 1 C-terminal domain
Deposition date:
2024-06-13
Original release date:
2025-12-15
Authors:
Bier, N.; Ramadan, S.; Nedielkov, R.; Klishin, N.; Moeller, H.
Citation:

Citation: Bier, N.; Ramadan, S.; Nedielkov, R.; Klishin, N.; Moeller, H.. "Three-dimensional structure of the Merozoite surface protein 1 C-terminal domain from P. berghei"  .

Assembly members:

Assembly members:
entity_1, polymer, 104 residues, 11460.739 Da.

Natural source:

Natural source:   Common Name: Plasmodium berghei   Taxonomy ID: 5821   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Plasmodium berghei

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNMDSMDLLGIDPKHVCINT RDIPANAGCFRYDNGNEEWR CLLGYKKNNNTCIEDSNPTC GNNNGGCDPTAGCQTAENRE NSKKIICTCKEPTPNAYYDG VFCG

Data sets:
Data typeCount
13C chemical shifts405
15N chemical shifts110
1H chemical shifts627

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 104 residues - 11460.739 Da.

1   METASNMETASPSERMETASPLEULEUGLY
2   ILEASPPROLYSHISVALCYSILEASNTHR
3   ARGASPILEPROALAASNALAGLYCYSPHE
4   ARGTYRASPASNGLYASNGLUGLUTRPARG
5   CYSLEULEUGLYTYRLYSLYSASNASNASN
6   THRCYSILEGLUASPSERASNPROTHRCYS
7   GLYASNASNASNGLYGLYCYSASPPROTHR
8   ALAGLYCYSGLNTHRALAGLUASNARGGLU
9   ASNSERLYSLYSILEILECYSTHRCYSLYS
10   GLUPROTHRPROASNALATYRTYRASPGLY
11   VALPHECYSGLY

Samples:

sample_1: MSP1-19, [U-99% 13C; U-98% 15N], 0.873 mM; Potassium dihydrogen phosphate, none, 25 mM; Potassium chloride, none, 50 mM; Sodium azide, none, 4 mM; DSS, d6, 0.1 mM

sample_2: MSP1-19, [U-99% 13C; U-98% 15N], 0.741 mM; Potassium chloride, none, 50 mM; Sodium azide, none, 4 mM; DSS, d6, 0.1 mM; Potassium dideuterium phosphate, none, 25 mM

sample_conditions_1: ionic strength: 187.5 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 187.5 mM; pH: 6.5 pD; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HBHANHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_2
3D HCCH-COSYsample_2isotropicsample_conditions_2
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_2
(HB)CB(CGCD)HDsample_2isotropicsample_conditions_2
(HB)CB(CGCDCE)HEsample_2isotropicsample_conditions_2

Software:

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

ARTINA, Klukowski, P., Riek, R. and Guntert, P. - structure calculation

CYANA v3.98.15, Guntert, Mumenthaler and Wuthrich - refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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