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

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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 D:  PRPNEECLQGAKFLSDAEIIQLVNAKHIPAYKLETLIETH
ERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCE
NVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNR
GCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAW
LETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQ
SRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYC
TDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAM
IEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDA
AQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGG
TNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMA
GELSLMAALAAGHLVK
Description


Functional site

1) chain D
residue 654
type
sequence A
description BINDING SITE FOR RESIDUE SO4 D 4
source : AC4

2) chain D
residue 655
type
sequence M
description BINDING SITE FOR RESIDUE SO4 D 4
source : AC4

3) chain D
residue 656
type
sequence G
description BINDING SITE FOR RESIDUE SO4 D 4
source : AC4

4) chain D
residue 657
type
sequence M
description BINDING SITE FOR RESIDUE SO4 D 4
source : AC4

5) chain D
residue 658
type
sequence N
description BINDING SITE FOR RESIDUE SO4 D 4
source : AC4

6) chain D
residue 559
type
sequence E
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

7) chain D
residue 564
type
sequence A
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

8) chain D
residue 565
type
sequence S
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

9) chain D
residue 568
type
sequence R
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

10) chain D
residue 735
type
sequence K
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

11) chain D
residue 751
type
sequence A
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

12) chain D
residue 752
type
sequence H
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

13) chain D
residue 755
type
sequence N
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

14) chain D
residue 852
type
sequence S
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

15) chain D
residue 853
type
sequence L
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

16) chain D
residue 861
type
sequence H
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

17) chain D
residue 864
type
sequence K
description BINDING SITE FOR RESIDUE 7HI D 3
source : AC7

18) chain D
residue 590
type
sequence R
description BINDING SITE FOR RESIDUE 7HI D 876
source : AC8

19) chain D
residue 684
type
sequence S
description BINDING SITE FOR RESIDUE 7HI D 876
source : AC8

20) chain D
residue 686
type
sequence N
description BINDING SITE FOR RESIDUE 7HI D 876
source : AC8

21) chain D
residue 690
type
sequence D
description BINDING SITE FOR RESIDUE 7HI D 876
source : AC8

22) chain D
residue 691
type
sequence K
description BINDING SITE FOR RESIDUE 7HI D 876
source : AC8

23) chain D
residue 692
type
sequence K
description BINDING SITE FOR RESIDUE 7HI D 876
source : AC8

24) chain D
residue 559
type catalytic
sequence E
description 93
source MCSA : MCSA4

25) chain D
residue 691
type catalytic
sequence K
description 93
source MCSA : MCSA4

26) chain D
residue 767
type catalytic
sequence D
description 93
source MCSA : MCSA4

27) 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

28) 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

29) 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

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

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

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

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

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


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