BMRB Entry 17118
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17118
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Title: Conformation of Pseudoazurin in the 152 kDa Electron Transfer Complex with Nitrite Reductase Determined by Paramagnetic NMR PubMed: 18083191
Deposition date: 2010-08-11 Original release date: 2010-11-10
Authors: Vlasie, Monica; Fernandez-Busnadiego, Ruben; Prudencio, Miguel; Ubbink, Marcellus
Citation: Vlasie, Monica; Fernandez-Busnadiego, Ruben; Prudencio, Miguel; Ubbink, Marcellus. "Conformation of Pseudoazurin in the 152 kDa Electron Transfer Complex with Nitrite Reductase Determined by Paramagnetic NMR" J. Mol. Biol. 375, 1405-1415 (2008).
Assembly members:
PAZ, polymer, 123 residues, Formula weight is not available
NiR, polymer, 376 residues, 65.409 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Alcaligenes faecalis Taxonomy ID: 511 Superkingdom: Bacteria Kingdom: not available Genus/species: Alcaligenes faecalis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
PAZ: ENIEVHMLNKGAEGAMVFEP
AYIKANPGDTVTFIPVDKGH
NVESIKDMIPEGAEKFKSKI
NENYVLTVTQPGAYLVKCTP
HYAMGMIALIAVGDSPANLD
QIVSAKKPKIVQERLEKVIA
SAK
NiR: MAEQMQISRRTILAGAALAG
ALAPVLATTSAWGQGAVRKA
TAAEIAALPRQKVELVDPPF
VHAHSQVAEGGPKVVEFTMV
IEEKKIVIDDAGTEVHAMAF
NGTVPGPLMVVHQDDYLELT
LINPETNTLMHNIDFHAATG
ALGGGGLTEINPGEKTILRF
KATKPGVFVYHCAPPGMVPW
HVVSGMNGAIMVLPREGLHD
GKGKALTYDKIYYVGEQDFY
VPRDENGKYKKYEAPGDAYE
DTVKVMRTLTPTHVVFNGAV
GALTGDKAMTAAVGEKVLIV
HSQANRDTRPHLIGGHGDYV
WATGKFNTPPDVDQETWFIP
GGAAGAAFYTFQQPGIYAYV
NHNLIEAFELGAAAHFKVTG
EWNDDLMTSVLAPSGT
- chemical rates
| Data type | Count |
| binding constants | 1 |
| kinetic rates | 1 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PAZ | 1 |
| 2 | NiR | 2 |
| 3 | ZN | 3 |
Entities:
Entity 1, PAZ 123 residues - Formula weight is not available
| 1 | GLU | ASN | ILE | GLU | VAL | HIS | MET | LEU | ASN | LYS | ||||
| 2 | GLY | ALA | GLU | GLY | ALA | MET | VAL | PHE | GLU | PRO | ||||
| 3 | ALA | TYR | ILE | LYS | ALA | ASN | PRO | GLY | ASP | THR | ||||
| 4 | VAL | THR | PHE | ILE | PRO | VAL | ASP | LYS | GLY | HIS | ||||
| 5 | ASN | VAL | GLU | SER | ILE | LYS | ASP | MET | ILE | PRO | ||||
| 6 | GLU | GLY | ALA | GLU | LYS | PHE | LYS | SER | LYS | ILE | ||||
| 7 | ASN | GLU | ASN | TYR | VAL | LEU | THR | VAL | THR | GLN | ||||
| 8 | PRO | GLY | ALA | TYR | LEU | VAL | LYS | CYS | THR | PRO | ||||
| 9 | HIS | TYR | ALA | MET | GLY | MET | ILE | ALA | LEU | ILE | ||||
| 10 | ALA | VAL | GLY | ASP | SER | PRO | ALA | ASN | LEU | ASP | ||||
| 11 | GLN | ILE | VAL | SER | ALA | LYS | LYS | PRO | LYS | ILE | ||||
| 12 | VAL | GLN | GLU | ARG | LEU | GLU | LYS | VAL | ILE | ALA | ||||
| 13 | SER | ALA | LYS |
Entity 2, NiR 376 residues - 65.409 Da.
| 1 | MET | ALA | GLU | GLN | MET | GLN | ILE | SER | ARG | ARG | ||||
| 2 | THR | ILE | LEU | ALA | GLY | ALA | ALA | LEU | ALA | GLY | ||||
| 3 | ALA | LEU | ALA | PRO | VAL | LEU | ALA | THR | THR | SER | ||||
| 4 | ALA | TRP | GLY | GLN | GLY | ALA | VAL | ARG | LYS | ALA | ||||
| 5 | THR | ALA | ALA | GLU | ILE | ALA | ALA | LEU | PRO | ARG | ||||
| 6 | GLN | LYS | VAL | GLU | LEU | VAL | ASP | PRO | PRO | PHE | ||||
| 7 | VAL | HIS | ALA | HIS | SER | GLN | VAL | ALA | GLU | GLY | ||||
| 8 | GLY | PRO | LYS | VAL | VAL | GLU | PHE | THR | MET | VAL | ||||
| 9 | ILE | GLU | GLU | LYS | LYS | ILE | VAL | ILE | ASP | ASP | ||||
| 10 | ALA | GLY | THR | GLU | VAL | HIS | ALA | MET | ALA | PHE | ||||
| 11 | ASN | GLY | THR | VAL | PRO | GLY | PRO | LEU | MET | VAL | ||||
| 12 | VAL | HIS | GLN | ASP | ASP | TYR | LEU | GLU | LEU | THR | ||||
| 13 | LEU | ILE | ASN | PRO | GLU | THR | ASN | THR | LEU | MET | ||||
| 14 | HIS | ASN | ILE | ASP | PHE | HIS | ALA | ALA | THR | GLY | ||||
| 15 | ALA | LEU | GLY | GLY | GLY | GLY | LEU | THR | GLU | ILE | ||||
| 16 | ASN | PRO | GLY | GLU | LYS | THR | ILE | LEU | ARG | PHE | ||||
| 17 | LYS | ALA | THR | LYS | PRO | GLY | VAL | PHE | VAL | TYR | ||||
| 18 | HIS | CYS | ALA | PRO | PRO | GLY | MET | VAL | PRO | TRP | ||||
| 19 | HIS | VAL | VAL | SER | GLY | MET | ASN | GLY | ALA | ILE | ||||
| 20 | MET | VAL | LEU | PRO | ARG | GLU | GLY | LEU | HIS | ASP | ||||
| 21 | GLY | LYS | GLY | LYS | ALA | LEU | THR | TYR | ASP | LYS | ||||
| 22 | ILE | TYR | TYR | VAL | GLY | GLU | GLN | ASP | PHE | TYR | ||||
| 23 | VAL | PRO | ARG | ASP | GLU | ASN | GLY | LYS | TYR | LYS | ||||
| 24 | LYS | TYR | GLU | ALA | PRO | GLY | ASP | ALA | TYR | GLU | ||||
| 25 | ASP | THR | VAL | LYS | VAL | MET | ARG | THR | LEU | THR | ||||
| 26 | PRO | THR | HIS | VAL | VAL | PHE | ASN | GLY | ALA | VAL | ||||
| 27 | GLY | ALA | LEU | THR | GLY | ASP | LYS | ALA | MET | THR | ||||
| 28 | ALA | ALA | VAL | GLY | GLU | LYS | VAL | LEU | ILE | VAL | ||||
| 29 | HIS | SER | GLN | ALA | ASN | ARG | ASP | THR | ARG | PRO | ||||
| 30 | HIS | LEU | ILE | GLY | GLY | HIS | GLY | ASP | TYR | VAL | ||||
| 31 | TRP | ALA | THR | GLY | LYS | PHE | ASN | THR | PRO | PRO | ||||
| 32 | ASP | VAL | ASP | GLN | GLU | THR | TRP | PHE | ILE | PRO | ||||
| 33 | GLY | GLY | ALA | ALA | GLY | ALA | ALA | PHE | TYR | THR | ||||
| 34 | PHE | GLN | GLN | PRO | GLY | ILE | TYR | ALA | TYR | VAL | ||||
| 35 | ASN | HIS | ASN | LEU | ILE | GLU | ALA | PHE | GLU | LEU | ||||
| 36 | GLY | ALA | ALA | ALA | HIS | PHE | LYS | VAL | THR | GLY | ||||
| 37 | GLU | TRP | ASN | ASP | ASP | LEU | MET | THR | SER | VAL | ||||
| 38 | LEU | ALA | PRO | SER | GLY | THR |
Entity 3, ZN - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: PAZ, [U-15N; U-2H], 250 uM; Zinc 250 mM; sodium phosphate buffer 20 mM; NiR1 – 3 mM; H20 94%; D20 6%
sample_conditions_1: ionic strength: 20 mM; pH: 6.5; pressure: ambient atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 15N-1H TROSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AZARA, Boucher - processing
ANSIG, Kraulis - data analysis
OriginPro v7.5, (OriginLab Corp., Northampton, MA) - data analysis
NMR spectrometers:
- Bruker DMX 600 MHz