3CCZ: 3-hydroxy-3-methylglutaryl-coenzyme A reductase

Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors. Determined by X-ray diffraction at 1.7 Å resolution. Released 17 Jun 2008.

Method

X-ray diffraction

Resolution

1.7 Å

Organism

Homo sapiens

Chains

4

Atoms

13,469

Mol. weight

192.41 kDa

Ligands

5HI

Released

17 Jun 2008

Explore 3CCZ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3CCZ contains 77 α-helices and 84 β-strands across 4 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 21 helices, 21 β-strands

Molecules and chains

>3CCZ_1 3-hydroxy-3-methylglutaryl-coenzyme A reductase (chains A, B, C, D)
HHHHHHEPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSI
RRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVP
MATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEG
FAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEY
FPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNIN
KNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYIS
CTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLM
AALAAGHLVKSHMIHNRSKIN

Ligands and cofactors

Water and common crystallization additives (SO4) are not listed.

Primary citation

Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. Sarver, R.W., Bills, E., Bolton, G. et al. J Med Chem (2008) 51:3804-3813. DOI 10.1021/jm7015057 · PubMed

Related structures

Other PDB entries of the same protein (UniProt P04035 (AlphaFold model), which also has an AlphaFold model), best resolution first:

• 2R4F 1.7 Å, Substituted Pyrazoles as Hepatselective HMG-COA reductase inhibitors
• 1DQA 2.0 Å, Complex of the catalytic portion of human hmg-CoA reductase with hmg, CoA, and NADP+
• 2Q6B 2.0 Å, Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
• 2Q6C 2.0 Å, Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors
• 2Q1L 2.05 Å, Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors
• 3CD7 2.05 Å, Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
• 8S6B 2.06 Å, CryoEM structure of Apo form of catalytic domain of human HMG-CoA reductase
• 3CDA 2.07 Å, Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
• 1DQ8 2.1 Å, Complex of the catalytic portion of human hmg-CoA reductase with hmg and CoA
• 1HW8 2.1 Å, Complex of the catalytic portion of human hmg-CoA reductase with compactin (also known…
• 1HWL 2.1 Å, Complex of the catalytic portion of human hmg-CoA reductase with rosuvastatin (formally…
• 3CCW 2.1 Å, Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors

Browse structure collections

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