BMRB Entry 16968

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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/BMR16968
MolProbity Validation Chart

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Title:
The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF)
Deposition date:
2010-06-01
Original release date:
2010-06-22
Authors:
Bullesbach, Erika; Hass, Mathias; Jensen, Malene; Hansen, Flemming; Kristensen, Soren; Schwabe, Christian; Led, Jens
Citation:

Citation: Bullesbach, Erika; Hass, Mathias; Jensen, Malene; Hansen, Flemming; Kristensen, Soren; Schwabe, Christian; Led, Jens. "The Solution Structure of a Conformationally Restricted Fully Active Derivative of the Human Relaxin-like Factor (RLF)"  Biochemistry 47, 13308-13317 (2008).
PubMed: 19086273

Assembly members:

Assembly members:
RLF-A_crosslinked, polymer, 27 residues, Formula weight is not available
RLF-B_crosslinked, polymer, 27 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RLF-A_crosslinked: AAATNPARYCCLSGCTQQDL LTLCPYG
RLF-B_crosslinked: PTPEMREKLCGHHFVRALVR VCGGPKW

Data typeCount
13C chemical shifts58
1H chemical shifts619

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1RLF-A_crosslinked1
2RLF-B_crosslinked2

Entities:

Entity 1, RLF-A_crosslinked 27 residues - Formula weight is not available

residue 132 is a glycine linked through the C-terminal carboxyl group to the 6-amino group of lysine 50 of the RLF B chain

1   ALAALAALATHRASNPROALAARGTYRCYS
2   CYSLEUSERGLYCYSTHRGLNGLNASPLEU
3   LEUTHRLEUCYSPROTYRGLY

Entity 2, RLF-B_crosslinked 27 residues - Formula weight is not available

residue 50 is a lysine linked through the 6-amino group to the C-terminal carboxyl group of glycine132

1   PROTHRPROGLUMETARGGLULYSLEUCYS
2   GLYHISHISPHEVALARGALALEUVALARG
3   VALCYSGLYGLYPROLYSTRP

Samples:

RLF_crosslinked_H2O: RLF-A_crosslinked 1.2 mM; RLF-B_crosslinked 1.2 mM; sodium acetate 1.2 mM; Na-d4-acetate/NaOD 40 mM; H2O 92%; D2O 8%

RLF_crosslinked_D2O: RLF-A_crosslinked 1.2 mM; RLF-B_crosslinked 1.2 mM; sodium acetate 1.2 mM; Na-d4-acetate/NaOD 40 mM; D2O 100%

RLF_crosslinked_H2O_308: pH: 5.0; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYRLF_crosslinked_D2OisotropicRLF_crosslinked_H2O_308
2D 1H-1H TOCSYRLF_crosslinked_D2OisotropicRLF_crosslinked_H2O_308
2D 1H-1H TOCSYRLF_crosslinked_D2OisotropicRLF_crosslinked_H2O_308
2D 1H-13C HSQCRLF_crosslinked_D2OisotropicRLF_crosslinked_H2O_308
2D 1H-1H NOESYRLF_crosslinked_D2OisotropicRLF_crosslinked_H2O_308
2D 1H-1H TOCSYRLF_crosslinked_H2OisotropicRLF_crosslinked_H2O_308
2D 1H-1H NOESYRLF_crosslinked_H2OisotropicRLF_crosslinked_H2O_308

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

ARIA v2.1, Linge, O'Donoghue and Nilges - NOE assignment, structure solution

SPARKY v3.110, Goddard - chemical shift assignment, peak picking

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

PREDITOR, Wishart - bond angle prediction

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 500 MHz

Related Database Links:

BMRB 16901
PDB
DBJ BAG63984
EMBL CAA52017
GB AAB31371 AAH32810 AAH53345 AAH71706 AAI06722
REF NP_001171286 NP_005534 XP_003275863 XP_003915200 XP_007993939
SP P51460 Q5CZK3
AlphaFold P51460 Q5CZK3