BMRB Entry 6444
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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/BMR6444
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Bertini, Ivano; Calderone, Vito; Cosenza, Marta; Fragai, Marco; Lee, Yong-Min; Luchinat, Claudio; Mangani, Stefano; Terni, Beatrice; Turano, Paola. "Conformational Variability of MMPs: Beyond a Single 3D Structure" Proc. Natl. Acad. Sci. U.S.A. 102, 5334-5339 (2005).
Assembly members:
matrix metalloelastase, polymer, 159 residues, Formula weight is not available
NGH, non-polymer, 316.373 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
matrix metalloelastase: MGPVWRKHYITYRINNYTPD
MNREDVDYAIRKAFQVWSNV
TPLKFSKINTGMADILVVFA
RGAHGDDHAFDGKGGILAHA
FGPGSGIGGDAHFDEDEFWT
THSGGTNLFLTAVHEIGHSL
GLGHSSDPKAVMFPTYKYVD
INTFRLSADDIRGIQSLYG
- assigned_chemical_shifts
- RDCs
| Data type | Count |
| 1H chemical shifts | 909 |
| 13C chemical shifts | 318 |
| 15N chemical shifts | 157 |
| residual dipolar couplings | 111 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MMP12 catalytic domain | 1 |
| 2 | NNGH | 2 |
Entities:
Entity 1, MMP12 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 | ASP | 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, NNGH - C13 H20 N2 O5 S - 316.373 Da.
| 1 | NGH |
Samples:
sample_1: matrix metalloelastase, [U-13C; U-15N], 0.9 mM; N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid 0.9 mM
sample_2: matrix metalloelastase, [U-13C; U-15N], 0.9 mM; N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid 0.9 mM
conditions_1: pH: 7.20; temperature: 298.0 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 13N-separated NOESY | sample_1 | not available | conditions_1 |
| 2D NOESY | sample_1 | not available | conditions_1 |
| one bond 1H-15N IPAP HSQC | sample_1 | not available | conditions_1 |
Software:
No software information available
NMR spectrometers:
- Bruker AVANCE 900 MHz
- Bruker AVANCE 800 MHz
- Bruker AVANCE 700 MHz
- Bruker DRX 500 MHz
Related Database Links:
| REF | XP_508724 NP_002417 |
| SP | P39900 |
| GB | EAW67033 AAI43774 AAW29944 AAA58658 AAI12302 |
| PDB | |
| DBJ | BAG36675 |
| BMRB | 7089 7415 15578 6391 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks