BMRB Entry 5148

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5148
MolProbity Validation Chart

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Title:
NMR Structure of the [2Fe-2S] Ferredoxin Domain from Soluble Methane Monooxygenase Reductase and Interaction with its Hydroxylase
Deposition date:
2001-09-12
Original release date:
2002-01-23
Authors:
Muller, J.; Lugovskoy, A.; Wagner, G.; Lippard, S.
Citation:

Citation: Muller, J.; Lugovskoy, A.; Wagner, G.; Lippard, S.. "NMR Structure of the [2Fe-2S] Ferredoxin Domain from Soluble Methane Monooxygenase Reductase and Interaction with its Hydroxylase"  Biochemistry 41, 42-51 (2002).
PubMed: 11772001

Assembly members:

Assembly members:
[2Fe-2S] domain of Methane Monooxygenase Reductase, polymer, 98 residues, Formula weight is not available
FES, non-polymer, 175.820 Da.

Natural source:

Natural source:   Common Name: Methylococcus capsulatus   Taxonomy ID: 414   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Methylococcus capsulatus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pRED-Fd

Entity Sequences (FASTA):

Entity Sequences (FASTA):
[2Fe-2S] domain of Methane Monooxygenase Reductase: MQRVHTITAVTEDGESLRFE CRSDEDVITAALRQNIFLMS SCREGGCATCKALCSEGDYD LKGCSVQALPPEEEEEGLVL LCRTYPKTDLEIELPYTH

Data sets:
Data typeCount
1H chemical shifts494
13C chemical shifts312
15N chemical shifts79

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1methane monooxygenase component C1
2FE2/S2 CLUSTER2

Entities:

Entity 1, methane monooxygenase component C 98 residues - Formula weight is not available

1   METGLNARGVALHISTHRILETHRALAVAL
2   THRGLUASPGLYGLUSERLEUARGPHEGLU
3   CYSARGSERASPGLUASPVALILETHRALA
4   ALALEUARGGLNASNILEPHELEUMETSER
5   SERCYSARGGLUGLYGLYCYSALATHRCYS
6   LYSALALEUCYSSERGLUGLYASPTYRASP
7   LEULYSGLYCYSSERVALGLNALALEUPRO
8   PROGLUGLUGLUGLUGLUGLYLEUVALLEU
9   LEUCYSARGTHRTYRPROLYSTHRASPLEU
10   GLUILEGLULEUPROTYRTHRHIS

Entity 2, FE2/S2 CLUSTER - Fe2 S2 - 175.820 Da.

1   FES

Samples:

sample_1: [2Fe-2S] domain of Methane Monooxygenase Reductase, [U-13C; U-15N; U-70% 2H], 0.5 mM; sodium phosphate buffer 50 mM; DTT 1 mM; sodium dithionite 1.5 mM; NaN3 0.1%; protease inhibitor 1 x

condition_1: pH: 7.0 na; temperature: 298 K; ionic strength: 50 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
HNCAsample_1not availablecondition_1
HN(CO)CAsample_1not availablecondition_1
HN(CA)CBsample_1not availablecondition_1
HN(COCA)CBsample_1not availablecondition_1
HNCOsample_1not availablecondition_1
HCCH-TOCSYsample_1not availablecondition_1
15N NOESY-HSQCsample_1not availablecondition_1
13C NOESY-HSQCsample_1not availablecondition_1
NOESYsample_1not availablecondition_1
15N TOCSY-HSQCsample_1not availablecondition_1
15N HSQCsample_1not availablecondition_1
H(C-CO)NH-TOCSYsample_1not availablecondition_1
(H)C(CO)NH-TOCSYsample_1not availablecondition_1

Software:

FELIX v97.0 - processing

DYANA v1.5 - structure solution

X-PLOR v3.84 - refinement

XEasy v1.3.9 - data analysis

VNMR v5.1A - collection

XWINNMR v2.5 - collection

NMR spectrometers:

  • Varian UNITY-INOVA 750 MHz
  • Varian INOVA 500 MHz
  • Varian Unity 500 MHz
  • Varian Unity-Plus 400 MHz
  • Bruker DRX 600 MHz
  • Bruker DRX 500 MHz

Related Database Links:

PDB
GB AAB62391 AAU92722
REF WP_010960487 YP_113665
SP P22868
AlphaFold P22868

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