eF-site ID 3ccz-B PDB Code 3ccz Chain B click to enlarge Title Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors Classification OXIDOREDUCTASE Compound 3-hydroxy-3-methylglutaryl-coenzyme A reductase Source Homo sapiens (Human) (HMDH_HUMAN) Sequence B:  EPRPNEECLQILAKFLSDAEIIQLVNAKLIETHERGVSIR RQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMP IPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGL GGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGF AVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAM GMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAA INWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINK NLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSS NCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQ ACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMA ALAAG Description Functional site 1) chain B residue 654 type sequence A description BINDING SITE FOR RESIDUE SO4 B 2 source : AC2 2) chain B residue 656 type sequence G description BINDING SITE FOR RESIDUE SO4 B 2 source : AC2 3) chain B residue 657 type sequence M description BINDING SITE FOR RESIDUE SO4 B 2 source : AC2 4) chain B residue 658 type sequence N description BINDING SITE FOR RESIDUE SO4 B 2 source : AC2 5) chain B residue 559 type sequence E description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 6) chain B residue 561 type sequence C description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 7) chain B residue 565 type sequence S description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 8) chain B residue 735 type sequence K description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 9) chain B residue 751 type sequence A description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 10) chain B residue 752 type sequence H description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 11) chain B residue 755 type sequence N description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 12) chain B residue 853 type sequence L description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 13) chain B residue 856 type sequence A description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 14) chain B residue 590 type sequence R description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 15) chain B residue 661 type sequence S description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 16) chain B residue 684 type sequence S description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 17) chain B residue 686 type sequence N description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 18) chain B residue 690 type sequence D description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 19) chain B residue 691 type sequence K description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 20) chain B residue 692 type sequence K description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 21) chain B residue 559 type catalytic sequence E description 93 source MCSA : MCSA2 22) chain B residue 691 type catalytic sequence K description 93 source MCSA : MCSA2 23) chain B residue 767 type catalytic sequence D description 93 source MCSA : MCSA2 24) chain B residue 559 type ACT_SITE sequence E description Charge relay system => ECO:0000303|PubMed:10698924, ECO:0000303|PubMed:11349148 source Swiss-Prot : SWS_FT_FI1 25) chain B residue 691 type ACT_SITE sequence K description Charge relay system => ECO:0000303|PubMed:10698924, ECO:0000303|PubMed:11349148 source Swiss-Prot : SWS_FT_FI1 26) chain B residue 767 type ACT_SITE sequence D description Charge relay system => ECO:0000303|PubMed:10698924, ECO:0000303|PubMed:11349148 source Swiss-Prot : SWS_FT_FI1 27) chain B residue 720 type BINDING sequence V description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 28) chain B residue 565 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 29) chain B residue 626 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 30) chain B residue 653 type BINDING sequence D description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 31) chain B residue 504 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4

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