BMRB Entry 6047
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6047
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Title: 1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in the free form PubMed: 15213467
Deposition date: 2003-12-14 Original release date: 2004-07-23
Authors: Di Lello, Paola; Benison, Gregory; Omichinski, James; Legault, Pascale
Citation: Di Lello, Paola; Benison, Gregory; Omichinski, James; Legault, Pascale. "1H, 15N, and 13C resonance assignment of the 23 kDa organomercurial lyase MerB in its free and mercury-bound forms" J. Biomol. NMR 29, 457-458 (2004).
Assembly members:
Organomercurial Lyase, polymer, 212 residues, 23035 Da.
Natural source: Common Name: Escherichia Coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Organomercurial Lyase: MKLAPYILELLTSVNRTNGT
ADLLVPLLRELAKGRPVSRT
TLAGILDWPAERVAAVLEQA
TSTEYDKDGNIIGYGLTLRE
TSYVFEIDDRRLYAWCALDT
LIFPALIGRTARVSSHCAAT
GAPVSLTVSPSEIQAVEPAG
MAVSLVLPQEAADVRQSFCC
HVHFFASVPTAEDWASKHQG
LEGLAIVSVHEAFGLGQEFN
RHLLQTMSSRTP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 655 |
| 1H chemical shifts | 974 |
| 15N chemical shifts | 173 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MerB | 1 |
Entities:
Entity 1, MerB 212 residues - 23035 Da.
| 1 | MET | LYS | LEU | ALA | PRO | TYR | ILE | LEU | GLU | LEU | ||||
| 2 | LEU | THR | SER | VAL | ASN | ARG | THR | ASN | GLY | THR | ||||
| 3 | ALA | ASP | LEU | LEU | VAL | PRO | LEU | LEU | ARG | GLU | ||||
| 4 | LEU | ALA | LYS | GLY | ARG | PRO | VAL | SER | ARG | THR | ||||
| 5 | THR | LEU | ALA | GLY | ILE | LEU | ASP | TRP | PRO | ALA | ||||
| 6 | GLU | ARG | VAL | ALA | ALA | VAL | LEU | GLU | GLN | ALA | ||||
| 7 | THR | SER | THR | GLU | TYR | ASP | LYS | ASP | GLY | ASN | ||||
| 8 | ILE | ILE | GLY | TYR | GLY | LEU | THR | LEU | ARG | GLU | ||||
| 9 | THR | SER | TYR | VAL | PHE | GLU | ILE | ASP | ASP | ARG | ||||
| 10 | ARG | LEU | TYR | ALA | TRP | CYS | ALA | LEU | ASP | THR | ||||
| 11 | LEU | ILE | PHE | PRO | ALA | LEU | ILE | GLY | ARG | THR | ||||
| 12 | ALA | ARG | VAL | SER | SER | HIS | CYS | ALA | ALA | THR | ||||
| 13 | GLY | ALA | PRO | VAL | SER | LEU | THR | VAL | SER | PRO | ||||
| 14 | SER | GLU | ILE | GLN | ALA | VAL | GLU | PRO | ALA | GLY | ||||
| 15 | MET | ALA | VAL | SER | LEU | VAL | LEU | PRO | GLN | GLU | ||||
| 16 | ALA | ALA | ASP | VAL | ARG | GLN | SER | PHE | CYS | CYS | ||||
| 17 | HIS | VAL | HIS | PHE | PHE | ALA | SER | VAL | PRO | THR | ||||
| 18 | ALA | GLU | ASP | TRP | ALA | SER | LYS | HIS | GLN | GLY | ||||
| 19 | LEU | GLU | GLY | LEU | ALA | ILE | VAL | SER | VAL | HIS | ||||
| 20 | GLU | ALA | PHE | GLY | LEU | GLY | GLN | GLU | PHE | ASN | ||||
| 21 | ARG | HIS | LEU | LEU | GLN | THR | MET | SER | SER | ARG | ||||
| 22 | THR | PRO |
Samples:
sample_1: Organomercurial Lyase, [U-15N], 1.0 – 1.5 mM; sodium phosphate buffer10 – 10 mM; sodium chloride10 – 10 mM; DTT7.5 – 7.5 mM; EDTA1 – 1 mM
sample_2: Organomercurial Lyase, [U-95% 13C; U-90% 15N], 1.0 – 1.5 mM; sodium phosphate buffer10 – 10 mM; sodium chloride10 – 10 mM; DTT7.5 – 7.5 mM; EDTA1 – 1 mM
Ex-cond_1: pH: 7.5; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D [1H-15N]-HSQC | not available | not available | Ex-cond_1 |
| 2D [1H-13C]-CT-HSQC | not available | not available | Ex-cond_1 |
| 3D HNCACB | not available | not available | Ex-cond_1 |
| 3D(HB)CBCA(CO)NNH | not available | not available | Ex-cond_1 |
| 3D HNCO | not available | not available | Ex-cond_1 |
| 3D H(CCO)NNH-TOCSY | not available | not available | Ex-cond_1 |
| 3D C(CO)NNH-TOCSY | not available | not available | Ex-cond_1 |
| 3D HCCH-COSY | not available | not available | Ex-cond_1 |
| 3D HCCH-TOCSY | not available | not available | Ex-cond_1 |
| 2D(Hb)Cb(CgCd)Hd | not available | not available | Ex-cond_1 |
| 2D(Hb)Cb(CgCdCe)He | not available | not available | Ex-cond_1 |
| 3D 15N-edited TOCSY | not available | not available | Ex-cond_1 |
| 3D [1H-15N]-NOESY-HSQC | not available | not available | Ex-cond_1 |
| 3D [1H-13C]-HMQC-NOESY | not available | not available | Ex-cond_1 |
| 3D HNHA | not available | not available | Ex-cond_1 |
Software:
NMRView v5.0.3 -
PIPP -
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 6055 |
| PDB | |
| DBJ | BAA36432 BAN84179 |
| EMBL | CAC79205 CAK12695 CDI28660 CDR86370 |
| GB | AAA88369 AAB49639 AAD46510 AAD46511 AAR91470 |
| REF | NP_361074 WP_000317307 WP_000761850 WP_001326385 WP_015059358 |
| SP | P08664 P62225 P77072 Q91UN2 |
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
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