Table 3.
Key residues of HMGCR active sites interacting with the ligands.
PDB Entry |
Site | Naringenin | Hesperetin |
---|---|---|---|
1HW8 | 1 | Lys735 B | Ser684 A, Lys735 B |
2 | Lys735 A | Glu559 A, Lys735 A | |
3 | Lys735 D | Glu559 D, Glu665 C, Glu665 C, Lys735 D, Lys691 C | |
4 | Lys735 C | Lys735 C | |
1HW9 | 1 | Lys735 B, Asn755 B | Ser684 A, Lys735 B |
2 | Glu559 A, Lys735 A, Ser684 B, Lys691 B |
Glu559 A, Lys735 A, Ser684 B, Lys691 B | |
3 | Glu665 C, Lys735 D | Glu665 C, Ser684 C, Lys735 D | |
4 | Glu665 D, Lys735 C | Lys735 C, Ser684 D, Asn755 C | |
1HWI | 1 | Lys735 B, Asn755b | Glu559 B, Ser684 A, Lys735 B |
2 | Ala751 A, Glu665 B, Lys735 A | Glu665 B, Lys735 A | |
3 | Ala751 D, Ser684 C, Lys735 D | Ala751 D, Ser684 C, Lys735 D | |
4 | Lys735 C, Ser661 D | Lys735 C | |
1HWJ | 1 | Lys735 B | Lys735 B |
2 | Lys735 A | Lys735 A, Ser684 B | |
3 | Lys735 D | Lys735 D | |
4 | Glu665 D, Lys735 C | Glu559 C, Lys735 C, Lys691 D | |
1HWK | 1 | Glu665 A, Lys735 B | Ser684 A, Lys735 B |
2 | Glu559 A, Glu665 B, Lys735 A, Lys691 B |
Glu665 B, Lys735 A, Ser684 B | |
3 | Ala751 D, Lys735 D, Asn755 D | Lys735 D | |
4 | Glu665 D, Lys735 C | Glu559 C, Lys735 C, Lys691 D | |
1HWL | 1 | Ser684 A, Lys735 B | Glu559 B, Ser684 A, Lys735 B |
2 | Lys735 A, Ser684 B | Lys735 A, Ser684 B | |
3 | Ser684 C, Lys735 D | Lys735 D | |
4 | Lys735 C, Ser684 D | Glu559 C, Glu665 D, Lys735 C, Ser684 D |