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. 2021 Sep 21;26(18):5718. doi: 10.3390/molecules26185718

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