BMRB Entry 16751
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16751
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Citation: Luo, Ren-Sheng; Liu, Mai-Li; Mao, Xi-An. "NMR diffusion and relaxation study of drug-protein interaction" Spectrochimica acta 55, 1897-1901 (1999).
PubMed: 10474906
Assembly members:
HSA, polymer, 585 residues, Formula weight is not available
SAL, non-polymer, 138.121 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: purified from the natural source
- binding constants
| Data type | Count |
| binding constants | 4 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HSA | 1 |
| 2 | salicylate | 2 |
Entities:
Entity 1, HSA 585 residues - Formula weight is not available
| 1 | ASP | ALA | HIS | LYS | SER | GLU | VAL | ALA | HIS | ARG | ||||
| 2 | PHE | LYS | ASP | LEU | GLY | GLU | GLU | ASN | PHE | LYS | ||||
| 3 | ALA | LEU | VAL | LEU | ILE | ALA | PHE | ALA | GLN | TYR | ||||
| 4 | LEU | GLN | GLN | CYS | PRO | PHE | GLU | ASP | HIS | VAL | ||||
| 5 | LYS | LEU | VAL | ASN | GLU | VAL | THR | GLU | PHE | ALA | ||||
| 6 | LYS | THR | CYS | VAL | ALA | ASP | GLU | SER | ALA | GLU | ||||
| 7 | ASN | CYS | ASP | LYS | SER | LEU | HIS | THR | LEU | PHE | ||||
| 8 | GLY | ASP | LYS | LEU | CYS | THR | VAL | ALA | THR | LEU | ||||
| 9 | ARG | GLU | THR | TYR | GLY | GLU | MET | ALA | ASP | CYS | ||||
| 10 | CYS | ALA | LYS | GLN | GLU | PRO | GLU | ARG | ASN | GLU | ||||
| 11 | CYS | PHE | LEU | GLN | HIS | LYS | ASP | ASP | ASN | PRO | ||||
| 12 | ASN | LEU | PRO | ARG | LEU | VAL | ARG | PRO | GLU | VAL | ||||
| 13 | ASP | VAL | MET | CYS | THR | ALA | PHE | HIS | ASP | ASN | ||||
| 14 | GLU | GLU | THR | PHE | LEU | LYS | LYS | TYR | LEU | TYR | ||||
| 15 | GLU | ILE | ALA | ARG | ARG | HIS | PRO | TYR | PHE | TYR | ||||
| 16 | ALA | PRO | GLU | LEU | LEU | PHE | PHE | ALA | LYS | ARG | ||||
| 17 | TYR | LYS | ALA | ALA | PHE | THR | GLU | CYS | CYS | GLN | ||||
| 18 | ALA | ALA | ASP | LYS | ALA | ALA | CYS | LEU | LEU | PRO | ||||
| 19 | LYS | LEU | ASP | GLU | LEU | ARG | ASP | GLU | GLY | LYS | ||||
| 20 | ALA | SER | SER | ALA | LYS | GLN | ARG | LEU | LYS | CYS | ||||
| 21 | ALA | SER | LEU | GLN | LYS | PHE | GLY | GLU | ARG | ALA | ||||
| 22 | PHE | LYS | ALA | TRP | ALA | VAL | ALA | ARG | LEU | SER | ||||
| 23 | GLN | ARG | PHE | PRO | LYS | ALA | GLU | PHE | ALA | GLU | ||||
| 24 | VAL | SER | LYS | LEU | VAL | THR | ASP | LEU | THR | LYS | ||||
| 25 | VAL | HIS | THR | GLU | CYS | CYS | HIS | GLY | ASP | LEU | ||||
| 26 | LEU | GLU | CYS | ALA | ASP | ASP | ARG | ALA | ASP | LEU | ||||
| 27 | ALA | LYS | TYR | ILE | CYS | GLU | ASN | GLN | ASP | SER | ||||
| 28 | ILE | SER | SER | LYS | LEU | LYS | GLU | CYS | CYS | GLU | ||||
| 29 | LYS | PRO | LEU | LEU | GLU | LYS | SER | HIS | CYS | ILE | ||||
| 30 | ALA | GLU | VAL | GLU | ASN | ASP | GLU | MET | PRO | ALA | ||||
| 31 | ASP | LEU | PRO | SER | LEU | ALA | ALA | ASP | PHE | VAL | ||||
| 32 | GLU | SER | LYS | ASP | VAL | CYS | LYS | ASN | TYR | ALA | ||||
| 33 | GLU | ALA | LYS | ASP | VAL | PHE | LEU | GLY | MET | PHE | ||||
| 34 | LEU | TYR | GLU | TYR | ALA | ARG | ARG | HIS | PRO | ASP | ||||
| 35 | TYR | SER | VAL | VAL | LEU | LEU | LEU | ARG | LEU | ALA | ||||
| 36 | LYS | THR | TYR | GLU | THR | THR | LEU | GLU | LYS | CYS | ||||
| 37 | CYS | ALA | ALA | ALA | ASP | PRO | HIS | GLU | CYS | TYR | ||||
| 38 | ALA | LYS | VAL | PHE | ASP | GLU | PHE | LYS | PRO | LEU | ||||
| 39 | VAL | GLU | GLU | PRO | GLN | ASN | LEU | ILE | LYS | GLN | ||||
| 40 | ASN | CYS | GLU | LEU | PHE | GLU | GLN | LEU | GLY | GLU | ||||
| 41 | TYR | LYS | PHE | GLN | ASN | ALA | LEU | LEU | VAL | ARG | ||||
| 42 | TYR | THR | LYS | LYS | VAL | PRO | GLN | VAL | SER | THR | ||||
| 43 | PRO | THR | LEU | VAL | GLU | VAL | SER | ARG | ASN | LEU | ||||
| 44 | GLY | LYS | VAL | GLY | SER | LYS | CYS | CYS | LYS | HIS | ||||
| 45 | PRO | GLU | ALA | LYS | ARG | MET | PRO | CYS | ALA | GLU | ||||
| 46 | ASP | TYR | LEU | SER | VAL | VAL | LEU | ASN | GLN | LEU | ||||
| 47 | CYS | VAL | LEU | HIS | GLU | LYS | THR | PRO | VAL | SER | ||||
| 48 | ASP | ARG | VAL | THR | LYS | CYS | CYS | THR | GLU | SER | ||||
| 49 | LEU | VAL | ASN | ARG | ARG | PRO | CYS | PHE | SER | ALA | ||||
| 50 | LEU | GLU | VAL | ASP | GLU | THR | TYR | VAL | PRO | LYS | ||||
| 51 | GLU | PHE | ASN | ALA | GLU | THR | PHE | THR | PHE | HIS | ||||
| 52 | ALA | ASP | ILE | CYS | THR | LEU | SER | GLU | LYS | GLU | ||||
| 53 | GLU | GLN | ILE | LYS | LYS | GLN | THR | ALA | LEU | VAL | ||||
| 54 | GLU | LEU | VAL | LYS | HIS | LYS | PRO | LYS | ALA | THR | ||||
| 55 | LYS | GLU | GLN | LEU | LYS | ALA | VAL | MET | ASP | ASP | ||||
| 56 | PHE | ALA | ALA | PHE | VAL | GLU | LYS | CYS | CYS | LYS | ||||
| 57 | ALA | ASP | ASP | LYS | GLU | THR | CYS | PHE | ALA | GLU | ||||
| 58 | GLU | GLY | LYS | LYS | LEU | VAL | ALA | ALA | SER | GLN | ||||
| 59 | ALA | ALA | LEU | GLY | LEU |
Entity 2, salicylate - C7 H6 O3 - 138.121 Da.
| 1 | SAL |
Related Database Links:
| BMRB | 17178 17180 |
| PDB | 1AO6 1BJ5 1BKE 1BM0 1E78 1E7A 1E7B 1E7C 1E7E 1E7F 1E7G 1E7H 1E7I 1GNI 1GNJ 1H9Z 1HA2 1HK1 1HK2 1HK3 1HK4 1HK5 1N5U 1O9X 1TF0 1UOR 2BX8 2BXA 2BXB 2BXC 2BXD 2BXE 2BXF 2BXG 2BXH 2BXI 2BXK 2BXL 2BXM 2BXN 2BXO 2BXP 2BXQ 2ESG 2I2Z 2I30 2VDB 2VUE 2VUF 2XSI 2XVQ 2XVU 2XVV 2XVW 2XW0 2XW1 2YDF 3A73 3B9L 3B9M 3CX9 3JQZ 3JRY 3LU6 3LU7 3LU8 3SQJ 3TDL 3UIV 4BKE 4E99 4EMX 4G03 4G04 4HGK 4HGM 4IW1 4IW2 4K2C 4K71 4L8U 4L9K 4L9Q 4LA0 4LB2 4LB9 4N0F 4N0U 4S1Y |
| DBJ | BAF85444 BAG37325 BAG60658 |
| EMBL | CAA23753 CAA23754 CAH18185 CAI29688 |
| GB | AAA98797 AAA98798 AAF01333 AAF69594 AAH34023 |
| REF | NP_000468 NP_001127106 XP_003265777 XP_003832390 XP_004038851 |
| SP | P02768 Q5NVH5 |
| AlphaFold | P02768 Q5NVH5 |