eF-site ID 3cd7-D PDB Code 3cd7 Chain D 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 null (HMDH_HUMAN) Sequence D:  GAKFLSDAEIIQLVNAKHLIETHERGVSIRRQLLSKKLSE PSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLC LDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLA DGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDST SRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTE KALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKS VVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGS IGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASG PTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQG ACKDNPGENARQLARIVCGTVMAGELSLMAALAA Description Functional site 1) chain D residue 590 type sequence R description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 2) chain D residue 657 type sequence M description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 3) chain D residue 661 type sequence S description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 4) chain D residue 684 type sequence S description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 5) chain D residue 686 type sequence N description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 6) chain D residue 690 type sequence D description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 7) chain D residue 691 type sequence K description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 8) chain D residue 692 type sequence K description BINDING SITE FOR RESIDUE 882 D 3 source : AC3 9) chain D residue 559 type sequence E description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 10) chain D residue 561 type sequence C description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 11) chain D residue 562 type sequence L description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 12) chain D residue 565 type sequence S description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 13) chain D residue 568 type sequence R description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 14) chain D residue 735 type sequence K description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 15) chain D residue 751 type sequence A description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 16) chain D residue 752 type sequence H description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 17) chain D residue 755 type sequence N description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 18) chain D residue 852 type sequence S description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 19) chain D residue 853 type sequence L description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 20) chain D residue 856 type sequence A description BINDING SITE FOR RESIDUE 882 C 4 source : AC4 21) chain D 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 22) chain D 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 23) chain D 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 24) chain D residue 565 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 25) chain D residue 626 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 26) chain D residue 653 type BINDING sequence D description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 27) chain D residue 720 type BINDING sequence V description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 28) chain D residue 504 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4 29) chain D residue 559 type catalytic sequence E description 93 source MCSA : MCSA4 30) chain D residue 691 type catalytic sequence K description 93 source MCSA : MCSA4 31) chain D residue 767 type catalytic sequence D description 93 source MCSA : MCSA4

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