5UUU
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Beta-adrenergic receptor kinase 1 | polymer | 547 | 63236.1 | 1 | UniProt (P25098) Pfam (PF00615) Pfam (PF00069) In PDB | Homo sapiens (Human) | Beta-ARK-1,G-protein coupled receptor kinase 2 |
2 | A | 3-({[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)-N-[2-(trifluoromethyl)benzyl]benzamide | non-polymer | 466.5 | 1 | Chemie (QRW) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | A | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
5 | water | water | 18.0 | 35 | Chemie (HOH) |
Sequence modifications
A: 23 - 538 (UniProt: P25098)
PDB | External Database | Details |
---|---|---|
Met -8 | - | expression tag |
Ser -7 | - | expression tag |
Tyr -6 | - | expression tag |
Tyr -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
His 0 | - | expression tag |
His 1 | - | expression tag |
Asp 2 | - | expression tag |
Tyr 3 | - | expression tag |
Asp 4 | - | expression tag |
Ile 5 | - | expression tag |
Pro 6 | - | expression tag |
Thr 7 | - | expression tag |
Thr 8 | - | expression tag |
Glu 9 | - | expression tag |
Asn 10 | - | expression tag |
Leu 11 | - | expression tag |
Tyr 12 | - | expression tag |
Phe 13 | - | expression tag |
Gln 14 | - | expression tag |
Gly 15 | - | expression tag |
Ala 16 | - | expression tag |
Met 17 | - | expression tag |
Glu 18 | - | expression tag |
Pro 19 | - | expression tag |
Gly 20 | - | expression tag |
Gly 21 | - | expression tag |
Ser 22 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 63236.1 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 853.8 | |
All* | Total formula weight | 64089.9 |