2Q6B: 3-hydroxy-3-methylglutaryl-coenzyme A reductase

Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors. Determined by X-ray diffraction at 2.0 Å resolution. Released 17 Jul 2007.

Method

X-ray diffraction

Resolution

2.0 Å

Organism

Homo sapiens

Chains

4

Atoms

13,820

Mol. weight

192.39 kDa

Ligands

HR2

Released

17 Jul 2007

Explore 2Q6B in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2Q6B contains 84 α-helices and 81 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: 22 helices, 21 β-strands

Molecules and chains

>2Q6B_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

Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Pfefferkorn, J.A., Choi, C., Song, Y. et al. Bioorg Med Chem Lett (2007) 17:4531-4537. DOI 10.1016/j.bmcl.2007.05.097 · 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
• 3CCZ 1.7 Å, Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
• 1DQA 2.0 Å, Complex of the catalytic portion of human hmg-CoA reductase with hmg, CoA, and NADP+
• 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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