PDB entry 3cd5

View 3cd5 on RCSB PDB site
Description: thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
Deposited on 2008-02-26, released 2008-06-17
The last revision was dated 2021-10-20, with a file datestamp of 2021-10-15.
Experiment type: XRAY
Resolution: 2.39 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
    Species: HOMO SAPIENS
    Gene: HMGCR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04035 (6-440)
      • expression tag (0-5)
      • engineered mutation (50)
  • Chain 'B':
    Compound: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
    Species: HOMO SAPIENS
    Gene: HMGCR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04035 (6-440)
      • expression tag (0-5)
      • engineered mutation (50)
  • Chain 'C':
    Compound: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
    Species: HOMO SAPIENS
    Gene: HMGCR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04035 (6-440)
      • expression tag (0-5)
      • engineered mutation (50)
  • Chain 'D':
    Compound: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
    Species: HOMO SAPIENS
    Gene: HMGCR
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04035 (6-440)
      • expression tag (0-5)
      • engineered mutation (50)
  • Heterogens: SO4, 7HI, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >3cd5A (A:)
hhhhhheprpneeclqilgnaekgakflsdaeiiqlvnakhipaykletliethergvsi
rrqllskklsepsslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvp
mattegclvastnrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletseg
favikeafdstsrfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklhey
fpemqilavsgnyctdkkpaainwiegrgksvvceavipakvvrevlkttteamievnin
knlvgsamagsiggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyis
ctmpsieigtvgggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslm
aalaaghlvkshmihnrskin

    Sequence, based on observed residues (ATOM records):
    >3cd5A (A:)
eprpneeclqilgnaekgakflsdaeiiqlvnakhipaykletliethergvsirrqlls
kklsepsslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvpmatteg
clvastnrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletsegfavike
afdstsrfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklheyfpemqi
lavsgnyctdkkpaainwiegrgksvvceavipakvvrevlkttteamievninknlvgs
amagsiggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyisctmpsi
eigtvgggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslmaalaag
hlvks

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3cd5B (B:)
hhhhhheprpneeclqilgnaekgakflsdaeiiqlvnakhipaykletliethergvsi
rrqllskklsepsslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvp
mattegclvastnrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletseg
favikeafdstsrfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklhey
fpemqilavsgnyctdkkpaainwiegrgksvvceavipakvvrevlkttteamievnin
knlvgsamagsiggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyis
ctmpsieigtvgggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslm
aalaaghlvkshmihnrskin

    Sequence, based on observed residues (ATOM records):
    >3cd5B (B:)
eprpneeclqilgnaekgakflsdaeiiqlvnakhipaykletliethergvsirrqlls
kklsepsslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvpmatteg
clvastnrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletsegfavike
afdstsrfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklheyfpemqi
lavsgnyctdkkpaainwiegrgksvvceavipakvvrevlkttteamievninknlvgs
amagsiggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyisctmpsi
eigtvgggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslmaalaag
hlvks

  • Chain 'C':
    Sequence, based on SEQRES records:
    >3cd5C (C:)
hhhhhheprpneeclqilgnaekgakflsdaeiiqlvnakhipaykletliethergvsi
rrqllskklsepsslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvp
mattegclvastnrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletseg
favikeafdstsrfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklhey
fpemqilavsgnyctdkkpaainwiegrgksvvceavipakvvrevlkttteamievnin
knlvgsamagsiggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyis
ctmpsieigtvgggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslm
aalaaghlvkshmihnrskin

    Sequence, based on observed residues (ATOM records):
    >3cd5C (C:)
pneeclqilgngakflsdaeiiqlvnakhipaykletliethergvsirrqllskklsep
sslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvpmattegclvast
nrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletsegfavikeafdsts
rfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklheyfpemqilavsgn
yctdkkpaainwiegrgksvvceavipakvvrevlkttteamievninknlvgsamagsi
ggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyisctmpsieigtvg
ggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslmaalaaghlvk

  • Chain 'D':
    Sequence, based on SEQRES records:
    >3cd5D (D:)
hhhhhheprpneeclqilgnaekgakflsdaeiiqlvnakhipaykletliethergvsi
rrqllskklsepsslqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvp
mattegclvastnrgcraiglgggassrvladgmtrgpvvrlpracdsaevkawletseg
favikeafdstsrfarlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklhey
fpemqilavsgnyctdkkpaainwiegrgksvvceavipakvvrevlkttteamievnin
knlvgsamagsiggynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyis
ctmpsieigtvgggtnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslm
aalaaghlvkshmihnrskin

    Sequence, based on observed residues (ATOM records):
    >3cd5D (D:)
prpneeclqgakflsdaeiiqlvnakhipaykletliethergvsirrqllskklsepss
lqylpyrdynyslvmgaccenvigympipvgvagplcldekefqvpmattegclvastnr
gcraiglgggassrvladgmtrgpvvrlpracdsaevkawletsegfavikeafdstsrf
arlqklhtsiagrnlyirfqsrsgdamgmnmiskgtekalsklheyfpemqilavsgnyc
tdkkpaainwiegrgksvvceavipakvvrevlkttteamievninknlvgsamagsigg
ynahaanivtaiyiacgqdaaqnvgssncitlmeasgptnedlyisctmpsieigtvggg
tnllpqqaclqmlgvqgackdnpgenarqlarivcgtvmagelslmaalaaghlvk