BMRB Entry 5601

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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/BMR5601
MolProbity Validation Chart

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Title:
Complete 1H,13C,15N assignments of zinc Pyrococcus furiosus rubredoxin
Deposition date:
2002-11-26
Original release date:
2003-05-14
Authors:
Bougault, Catherine; Eidsness, Marly; Prestegard, James
Citation:

Citation: Bougault, Catherine; Eidsness, Marly; Prestegard, James. "Hydrogen Bonds in Rubredoxins from Mesophilic and Hyperthermophilic Organisms"  Biochemistry 42, 4357-4372 (2003).
PubMed: 12693931

Assembly members:

Assembly members:
pyrococcus furiosus rubredoxin, polymer, 54 residues, 6443.68 Da.
pyrococcus furiosus rubredoxin, polymer, 54 residues, 6414.67 Da.
pyrococcus furiosus rubredoxin, polymer, 53 residues, 6277.52 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Pyrococcus furiosus   Taxonomy ID: 2261   Superkingdom: Archaea   Kingdom: not available   Genus/species: Pyrococcus furiosus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pEt T7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
pyrococcus furiosus rubredoxin: XAKWVCKICGYIYDEDAGDP DNGISPGTKFEELPDDWVCP ICGAPKSEFEKLED
pyrococcus furiosus rubredoxin: MAKWVCKICGYIYDEDAGDP DNGISPGTKFEELPDDWVCP ICGAPKSEFEKLED
pyrococcus furiosus rubredoxin: AKWVCKICGYIYDEDAGDPD NGISPGTKFEELPDDWVCPI CGAPKSEFEKLED

Data typeCount
1H chemical shifts476
15N chemical shifts159
13C chemical shifts550
coupling constants108

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1fMetPfRdZn1
2Zn14
3MetPfRdZn2
4Zn24
5WT-PfRdZn3
6Zn34

Entities:

Entity 1, fMetPfRdZn 54 residues - 6443.68 Da.

1   FMEALALYSTRPVALCYSLYSILECYSGLY
2   TYRILETYRASPGLUASPALAGLYASPPRO
3   ASPASNGLYILESERPROGLYTHRLYSPHE
4   GLUGLULEUPROASPASPTRPVALCYSPRO
5   ILECYSGLYALAPROLYSSERGLUPHEGLU
6   LYSLEUGLUASP

Entity 4, Zn1 - Zn - 65.409 Da.

1   ZN

Entity 2, MetPfRdZn 54 residues - 6414.67 Da.

1   METALALYSTRPVALCYSLYSILECYSGLY
2   TYRILETYRASPGLUASPALAGLYASPPRO
3   ASPASNGLYILESERPROGLYTHRLYSPHE
4   GLUGLULEUPROASPASPTRPVALCYSPRO
5   ILECYSGLYALAPROLYSSERGLUPHEGLU
6   LYSLEUGLUASP

Entity 3, WT-PfRdZn 53 residues - 6277.52 Da.

1   ALALYSTRPVALCYSLYSILECYSGLYTYR
2   ILETYRASPGLUASPALAGLYASPPROASP
3   ASNGLYILESERPROGLYTHRLYSPHEGLU
4   GLULEUPROASPASPTRPVALCYSPROILE
5   CYSGLYALAPROLYSSERGLUPHEGLULYS
6   LEUGLUASP

Samples:

sample_1: pyrococcus furiosus rubredoxin, [U-100% 13C; U-100% 15N], 3.29 mM; pyrococcus furiosus rubredoxin, [U-100% 13C; U-100% 15N], 0.65 mM; pyrococcus furiosus rubredoxin, [U-100% 13C; U-100% 15N], 0.65 mM

Condition_1: pH: 6.44 na; temperature: 298 K; ionic strength: 0.29 M

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCsample_1not availableCondition_1
1H-13C HSQCsample_1not availableCondition_1
HNCOsample_1not availableCondition_1
HNCACBsample_1not availableCondition_1
HCACOsample_1not availableCondition_1
1H-13C HSQC-TOCSYsample_1not availableCondition_1
1H-13C HSQC-NOESYsample_1not availableCondition_1
(HB)CB(CGCD)HDsample_1not availableCondition_1
(HB)CB(CGCDCE)HEsample_1not availableCondition_1
HCCH-TOCSYsample_1not availableCondition_1
HCCO2sample_1not availableCondition_1

Software:

FELIX v2000 -

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

SWISS-PROT P24297 P24297 P24297
REF NP_579011.1 NP_579011.1 NP_579011.1
GenBank AAL81406.1 AAF03228.1 AAB20233.1 AAL81406.1 AAF03228.1 AAB20233.1 AAL81406.1 AAF03228.1 AAB20233.1
PDB
BMRB 5601 5601 1991 5601 5601 1991 5601 5601 1991

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