eF-site ID 3cd5-A
PDB Code 3cd5
Chain A

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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 A:  EPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYK
LETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYS
LVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEG
CLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRAC
DSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAG
RNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQI
LAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREV
LKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAI
YIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSI
EIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLAR
IVCGTVMAGELSLMAALAAGHLVKS
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 7HI B 1
source : AC5

7) chain A
residue 657
type
sequence M
description BINDING SITE FOR RESIDUE 7HI B 1
source : AC5

8) chain A
residue 684
type
sequence S
description BINDING SITE FOR RESIDUE 7HI B 1
source : AC5

9) chain A
residue 686
type
sequence N
description BINDING SITE FOR RESIDUE 7HI B 1
source : AC5

10) chain A
residue 690
type
sequence D
description BINDING SITE FOR RESIDUE 7HI B 1
source : AC5

11) chain A
residue 691
type
sequence K
description BINDING SITE FOR RESIDUE 7HI B 1
source : AC5

12) chain A
residue 692
type
sequence K
description BINDING SITE FOR RESIDUE 7HI B 1
source : AC5

13) chain A
residue 559
type
sequence E
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

14) chain A
residue 564
type
sequence A
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

15) chain A
residue 565
type
sequence S
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

16) chain A
residue 568
type
sequence R
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

17) chain A
residue 735
type
sequence K
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

18) chain A
residue 751
type
sequence A
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

19) chain A
residue 752
type
sequence H
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

20) chain A
residue 755
type
sequence N
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

21) chain A
residue 853
type
sequence L
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

22) chain A
residue 857
type
sequence L
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

23) chain A
residue 861
type
sequence H
description BINDING SITE FOR RESIDUE 7HI A 2
source : AC6

24) chain A
residue 559
type catalytic
sequence E
description 93
source MCSA : MCSA1

25) chain A
residue 691
type catalytic
sequence K
description 93
source MCSA : MCSA1

26) chain A
residue 767
type catalytic
sequence D
description 93
source MCSA : MCSA1

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 ACT_SITE
sequence E
description Charge relay system => ECO:0000303|PubMed:10698924, ECO:0000303|PubMed:11349148
source Swiss-Prot : SWS_FT_FI1

30) 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

31) 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

32) chain A
residue 565
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA
source Swiss-Prot : SWS_FT_FI3

33) chain A
residue 626
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA
source Swiss-Prot : SWS_FT_FI3

34) chain A
residue 653
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA
source Swiss-Prot : SWS_FT_FI3

35) chain A
residue 720
type BINDING
sequence V
description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA
source Swiss-Prot : SWS_FT_FI3

36) chain A
residue 865
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA
source Swiss-Prot : SWS_FT_FI3

37) chain A
residue 504
type MOD_RES
sequence S
description Phosphoserine => ECO:0007744|PubMed:23186163
source Swiss-Prot : SWS_FT_FI4


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