eF-site ID 3cdb-C PDB Code 3cdb Chain C 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 C:  PNEECLQILGNGAKFLSDAEIIQLVNAKHIPAYKLETLIE THERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGAC CENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVAST NRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVK AWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIR FQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGN YCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTE AMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQ DAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVG GGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTV MAGELSLMAALAAGH Description Functional site 1) chain C residue 559 type sequence E description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 2) chain C residue 560 type sequence G description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 3) chain C residue 561 type sequence C description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 4) chain C residue 565 type sequence S description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 5) chain C residue 735 type sequence K description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 6) chain C residue 751 type sequence A description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 7) chain C residue 755 type sequence N description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 8) chain C residue 853 type sequence L description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 9) chain C residue 856 type sequence A description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 10) chain C residue 860 type sequence G description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 11) chain C residue 861 type sequence H description BINDING SITE FOR RESIDUE 9HI D 3 source : AC3 12) chain C residue 590 type sequence R description BINDING SITE FOR RESIDUE 9HI C 4 source : AC4 13) chain C residue 658 type sequence N description BINDING SITE FOR RESIDUE 9HI C 4 source : AC4 14) chain C residue 684 type sequence S description BINDING SITE FOR RESIDUE 9HI C 4 source : AC4 15) chain C residue 690 type sequence D description BINDING SITE FOR RESIDUE 9HI C 4 source : AC4 16) chain C residue 691 type sequence K description BINDING SITE FOR RESIDUE 9HI C 4 source : AC4 17) chain C residue 692 type sequence K description BINDING SITE FOR RESIDUE 9HI C 4 source : AC4 18) chain C 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 19) chain C 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 20) chain C 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 21) chain C residue 565 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 22) chain C residue 626 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 23) chain C residue 653 type BINDING sequence D description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 24) chain C residue 720 type BINDING sequence V description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 25) chain C residue 504 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4 26) chain C residue 559 type catalytic sequence E description 93 source MCSA : MCSA3 27) chain C residue 691 type catalytic sequence K description 93 source MCSA : MCSA3 28) chain C residue 767 type catalytic sequence D description 93 source MCSA : MCSA3

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