eF-site ID 3ccz-A PDB Code 3ccz Chain A 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 A:  EPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYK LETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYS LVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEG CLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAG RNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQI LAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREV LKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAI YIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSI EIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLAR IVCGTVMAGELSLMAALAAG Description Functional site 1) chain A residue 654 type sequence A description BINDING SITE FOR RESIDUE SO4 A 1 source : AC1 2) chain A residue 655 type sequence M description BINDING SITE FOR RESIDUE SO4 A 1 source : AC1 3) chain A residue 656 type sequence G description BINDING SITE FOR RESIDUE SO4 A 1 source : AC1 4) chain A residue 657 type sequence M description BINDING SITE FOR RESIDUE SO4 A 1 source : AC1 5) chain A residue 658 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1 source : AC1 6) chain A residue 590 type sequence R description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 7) chain A residue 661 type sequence S description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 8) chain A residue 684 type sequence S description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 9) chain A residue 690 type sequence D description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 10) chain A residue 691 type sequence K description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 11) chain A residue 692 type sequence K description BINDING SITE FOR RESIDUE 5HI A 876 source : AC5 12) chain A residue 559 type sequence E description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 13) chain A residue 561 type sequence C description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 14) chain A residue 565 type sequence S description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 15) chain A residue 735 type sequence K description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 16) chain A residue 751 type sequence A description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 17) chain A residue 755 type sequence N description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 18) chain A residue 853 type sequence L description BINDING SITE FOR RESIDUE 5HI B 876 source : AC6 19) chain A 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 20) chain A 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 21) chain A 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 22) chain A residue 565 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 23) chain A residue 626 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 24) chain A residue 653 type BINDING sequence D description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 25) chain A residue 720 type BINDING sequence V description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA source Swiss-Prot : SWS_FT_FI3 26) chain A residue 504 type MOD_RES sequence S description Phosphoserine => ECO:0007744|PubMed:23186163 source Swiss-Prot : SWS_FT_FI4 27) chain A residue 646-660 type prosite sequence RFQSRSGDAMGMNMI description HMG_COA_REDUCTASE_1 Hydroxymethylglutaryl-coenzyme A reductases signature 1. RfQSrSGDaMGmNmI source prosite : PS00066 28) chain A residue 802-809 type prosite sequence IGTVGGGT description HMG_COA_REDUCTASE_2 Hydroxymethylglutaryl-coenzyme A reductases signature 2. IGtVGGGT source prosite : PS00318 29) chain A residue 559 type catalytic sequence E description 93 source MCSA : MCSA1 30) chain A residue 691 type catalytic sequence K description 93 source MCSA : MCSA1 31) chain A residue 767 type catalytic sequence D description 93 source MCSA : MCSA1

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