BMRB Entry 7415
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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/BMR7415
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Title: Evidence of reciprocical reorientation of the catalytic and hemopexin-like domains of full-length MMP-12 PubMed: 18465858
Deposition date: 2007-12-03 Original release date: 2011-08-11
Authors: Bertini, Ivano; Calderone, Vito; Fragai, Marco; Jaiswal, Rahul; Luchinat, Claudio; Melikian, Maxime; Mylonas, Efstratios; Svergun, Dmitri
Citation: Bertini, I.; Calderone, V.; Fragai, M.; Jaiswal, R.; Luchinat, C.; Melikian, M.; Mylonas, E.; Svergun, D.. "Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12" J. Am. Chem. Soc. 130, 7011-7022 (2008).
Assembly members:
CAT_DOMAIN, polymer, 159 residues, Formula weight is not available
CD (CADMIUM ION), non-polymer, 112.411 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo Sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21a
Entity Sequences (FASTA):
CAT_DOMAIN: MGPVWRKHYITYRINNYTPD
MNREDVDYAIRKAFQVWSNV
TPLKFSKINTGMADILVVFA
RGAHGDFHAFDGKGGILAHA
FGPGSGIGGDAHFDEDEFWT
THSGGTNLFLTAVHEIGHSL
GLGHSSDPKAVMFPTYKYVD
INTFRLSADDIRGIQSLYG
- heteronucl_NOEs
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| T1 relaxation values | 129 |
| T2 relaxation values | 129 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Catalytic Domain | 1 |
| 2 | Cadmium ion | 2 |
Entities:
Entity 1, Catalytic Domain 159 residues - Formula weight is not available
| 1 | MET | GLY | PRO | VAL | TRP | ARG | LYS | HIS | TYR | ILE | ||||
| 2 | THR | TYR | ARG | ILE | ASN | ASN | TYR | THR | PRO | ASP | ||||
| 3 | MET | ASN | ARG | GLU | ASP | VAL | ASP | TYR | ALA | ILE | ||||
| 4 | ARG | LYS | ALA | PHE | GLN | VAL | TRP | SER | ASN | VAL | ||||
| 5 | THR | PRO | LEU | LYS | PHE | SER | LYS | ILE | ASN | THR | ||||
| 6 | GLY | MET | ALA | ASP | ILE | LEU | VAL | VAL | PHE | ALA | ||||
| 7 | ARG | GLY | ALA | HIS | GLY | ASP | PHE | HIS | ALA | PHE | ||||
| 8 | ASP | GLY | LYS | GLY | GLY | ILE | LEU | ALA | HIS | ALA | ||||
| 9 | PHE | GLY | PRO | GLY | SER | GLY | ILE | GLY | GLY | ASP | ||||
| 10 | ALA | HIS | PHE | ASP | GLU | ASP | GLU | PHE | TRP | THR | ||||
| 11 | THR | HIS | SER | GLY | GLY | THR | ASN | LEU | PHE | LEU | ||||
| 12 | THR | ALA | VAL | HIS | GLU | ILE | GLY | HIS | SER | LEU | ||||
| 13 | GLY | LEU | GLY | HIS | SER | SER | ASP | PRO | LYS | ALA | ||||
| 14 | VAL | MET | PHE | PRO | THR | TYR | LYS | TYR | VAL | ASP | ||||
| 15 | ILE | ASN | THR | PHE | ARG | LEU | SER | ALA | ASP | ASP | ||||
| 16 | ILE | ARG | GLY | ILE | GLN | SER | LEU | TYR | GLY |
Entity 2, Cadmium ion 1 residues - Cd - 112.411 Da.
| 1 | CD |
Samples:
sample_1: CAT_DOMAIN, [U-13C; U-15N], mM; NaCl 300 mM
sample_conditions_1: ionic strength: 300 mM; pH: 7.2; pressure: 1 ATM; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D_15N-separated_NOESY | sample_1 | not available | not available |
| 3D_13C-separated_NOESY | sample_1 | not available | not available |
| 2D 1H-15N HSQC | sample_1 | not available | not available |
| 3D HNCO | sample_1 | not available | not available |
| 3D HNCA | sample_1 | not available | not available |
| 3D HN(CO)CA | sample_1 | not available | not available |
| 3D CBCA(CO)NH | sample_1 | not available | not available |
| 3D HNCACB | sample_1 | not available | not available |
| 3D HCCH-TOCSY | sample_1 | not available | not available |
| 3D HBHA(CO)NH | sample_1 | not available | not available |
| 3D HNHA | sample_1 | not available | not available |
| 2D 1H-15N HSQC T1 | sample_1 | not available | not available |
| 2D 1H-15N HSQC T2 | sample_1 | not available | not available |
| 2D 1H-15N HSQC NOE | sample_1 | not available | not available |
| 2D 1H-15N HSQC IPAP | sample_1 | not available | not available |
Software:
No software information available
NMR spectrometers:
- Bruker AVANCE 900 MHz
- Bruker DRX 500 MHz
- Bruker Avance 700 MHz