BMRB Entry 5153
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5153
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Citation: Gao, Guanghua; Arumugam, Sengodagounder; Patton, Brian; Semenchenko, Valentyna; Brew, Keith; Van Doren, Steven. "Binding of the MMP-3 catalytic domain to N-TIMP-1 is driven by a large gain in
entropy that includes modest contributions from the hydrophobic effect and the
TIMP-1 backbone" J. Mol. Biol. ., .-..
Assembly members:
N-terminal domain of Tissue Inhibitor of Metalloproteinases-1, polymer, 126 residues, Formula weight is not available
MatrixMetalloProteinases-3(catalytic domain), polymer, 173 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
ZN, non-polymer, 65.409 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):
N-terminal domain of Tissue Inhibitor of Metalloproteinases-1: CTCVPPHPQTAFCNSDLVIR
AKFVGTPEVNQTTLYQRYEI
KMTKMYKGFQALGDAADIRF
VYTPAMESVCGYFHRSHNRS
EEFLIAGKLQDGLLHITTCS
FVAPWNSLSLAQRRGFTKTY
TVGCEE
MatrixMetalloProteinases-3(catalytic domain): FRTFPGIPKWRKTHLTYRIV
NYTPDLPKDAVDSAVEKALK
VWEEVTPLTFSRLYEGEADI
MISFAVREHGDFYPFDGPGN
VLAHAYAPGPGINGDAHFDD
DEQWTKDTTGTNLFLVAAHQ
IGHSLGLFHSANTEALMYPL
YHSLTDLTRFRLSQDDINGI
QSLYGPPPDSPET
- order_parameters
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
- heteronucl_NOEs
| Data type | Count |
| T1 relaxation values | 85 |
| T2 relaxation values | 85 |
| order parameters | 86 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | N-TIMP-1, inhibitor | 1 |
| 2 | MMP-3, metalloproteinase | 2 |
| 3 | CALCIUM (II) ION, I | 3 |
| 4 | CALCIUM (II) ION, II | 3 |
| 5 | CALCIUM (II) ION, III | 3 |
| 6 | ZINC (II) ION, I | 4 |
| 7 | ZINC (II) ION, II | 4 |
Entities:
Entity 1, N-TIMP-1, inhibitor 126 residues - Formula weight is not available
| 1 | CYS | THR | CYS | VAL | PRO | PRO | HIS | PRO | GLN | THR | ||||
| 2 | ALA | PHE | CYS | ASN | SER | ASP | LEU | VAL | ILE | ARG | ||||
| 3 | ALA | LYS | PHE | VAL | GLY | THR | PRO | GLU | VAL | ASN | ||||
| 4 | GLN | THR | THR | LEU | TYR | GLN | ARG | TYR | GLU | ILE | ||||
| 5 | LYS | MET | THR | LYS | MET | TYR | LYS | GLY | PHE | GLN | ||||
| 6 | ALA | LEU | GLY | ASP | ALA | ALA | ASP | ILE | ARG | PHE | ||||
| 7 | VAL | TYR | THR | PRO | ALA | MET | GLU | SER | VAL | CYS | ||||
| 8 | GLY | TYR | PHE | HIS | ARG | SER | HIS | ASN | ARG | SER | ||||
| 9 | GLU | GLU | PHE | LEU | ILE | ALA | GLY | LYS | LEU | GLN | ||||
| 10 | ASP | GLY | LEU | LEU | HIS | ILE | THR | THR | CYS | SER | ||||
| 11 | PHE | VAL | ALA | PRO | TRP | ASN | SER | LEU | SER | LEU | ||||
| 12 | ALA | GLN | ARG | ARG | GLY | PHE | THR | LYS | THR | TYR | ||||
| 13 | THR | VAL | GLY | CYS | GLU | GLU |
Entity 2, MMP-3, metalloproteinase 173 residues - Formula weight is not available
| 1 | PHE | ARG | THR | PHE | PRO | GLY | ILE | PRO | LYS | TRP | ||||
| 2 | ARG | LYS | THR | HIS | LEU | THR | TYR | ARG | ILE | VAL | ||||
| 3 | ASN | TYR | THR | PRO | ASP | LEU | PRO | LYS | ASP | ALA | ||||
| 4 | VAL | ASP | SER | ALA | VAL | GLU | LYS | ALA | LEU | LYS | ||||
| 5 | VAL | TRP | GLU | GLU | VAL | THR | PRO | LEU | THR | PHE | ||||
| 6 | SER | ARG | LEU | TYR | GLU | GLY | GLU | ALA | ASP | ILE | ||||
| 7 | MET | ILE | SER | PHE | ALA | VAL | ARG | GLU | HIS | GLY | ||||
| 8 | ASP | PHE | TYR | PRO | PHE | ASP | GLY | PRO | GLY | ASN | ||||
| 9 | VAL | LEU | ALA | HIS | ALA | TYR | ALA | PRO | GLY | PRO | ||||
| 10 | GLY | ILE | ASN | GLY | ASP | ALA | HIS | PHE | ASP | ASP | ||||
| 11 | ASP | GLU | GLN | TRP | THR | LYS | ASP | THR | THR | GLY | ||||
| 12 | THR | ASN | LEU | PHE | LEU | VAL | ALA | ALA | HIS | GLN | ||||
| 13 | ILE | GLY | HIS | SER | LEU | GLY | LEU | PHE | HIS | SER | ||||
| 14 | ALA | ASN | THR | GLU | ALA | LEU | MET | TYR | PRO | LEU | ||||
| 15 | TYR | HIS | SER | LEU | THR | ASP | LEU | THR | ARG | PHE | ||||
| 16 | ARG | LEU | SER | GLN | ASP | ASP | ILE | ASN | GLY | ILE | ||||
| 17 | GLN | SER | LEU | TYR | GLY | PRO | PRO | PRO | ASP | SER | ||||
| 18 | PRO | GLU | THR |
Entity 3, CALCIUM (II) ION, I - Ca - 40.078 Da.
| 1 | CA |
Entity 4, ZINC (II) ION, I - Zn - 65.409 Da.
| 1 | ZN |
Related Database Links:
| BMRB | 15120 15395 15396 4173 4364 4365 4366 5099 5231 5785 5231 5099 4366 4365 4364 4173 15396 15395 15120 |
| PDB | 1B3D 1B8Y 1BIW 1BM6 1BQO 1C3I 1C8T 1CAQ 1CIZ 1CQR 1D5J 1D7X 1D8F 1D8M 1G05 1G49 1G4K 1HFS 1HY7 1OO9 1QIA 1QIC 1SLM 1SLN 1UEA 1UMS 1UMT 1USN 2D1O 2JNP 2JT5 2JT6 2SRT 2USN 3OHL 3OHO 3USN 4DPE 4G9L 4JA1 |
| DBJ | BAD97003 BAD97011 BAG36115 BAG36115 BAD97011 BAD97003 |
| EMBL | CAA28859 CAA28859 |
| GB | AAA00036 AAA36321 AAB36942 AAD45887 AAH69676 |
| REF | NP_002413 XP_002822450 XP_003253099 XP_003828425 XP_004052086 XP_508723 XP_001154004 XP_001153941 NP_002413 |
| SP | P08254 |
| SWISS-PROT | P08254 |
| GenBank | AAH69676 AAD45887 AAB36942 AAA36321 AAA00036 |
| AlphaFold | P08254 |