Evidence map›Paper›PMID 25663659›Full record

ReviewProteins2015

Substrate tunnels in enzymes: structure-function relationships and computational methodology.

Laura J Kingsley, Markus A Lill

Abstract readReview
In one paragraph

Review in Proteins, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 71 papers.

0numbers the graph read from it
0cells of the map it votes in
71citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

71 citing papers in PubMed.

  1. Characterization of successiveApplied and environmental microbiology · 2026
    Article
  2. Capturing Fast Gas Migration in Proteins.Molecules (Basel, Switzerland) · 2026
    Review
  3. Review
  4. Structure-activity relationships in catalytic amyloids.Journal of inorganic biochemistry · 2026
    Article
  5. Efficient synthesis of l-DOPA inSynthetic and systems biotechnology · 2026
    Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Article
  11. Review
  12. Article
  13. Non-synonymous ERG11 mutations inMicrobiology spectrum · 2025
    Article
  14. Article
  15. Article
  16. Article
  17. Safety Landscape of Therapeutic Nanozymes and Future Research Directions.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024
    Review
  18. Impact of water models on the structure and dynamics of enzyme tunnels.Computational and structural biotechnology journal · 2024
    Article
  19. Article
  20. Article

11 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Laura J KingsleyDepartment of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, West Lafayette, Indiana.
Markus A Lill

Funding

Novel Computational Methods for Modeling Cytochrome P450 Mediated Drug MetabolismR01GM092855 · NIGMS · PURDUE UNIVERSITY · PI LILL, MARKUS ALEXANDER · 2010 to 2014
$1.1M
NIGMS NIH HHS GM092855NIGMS NIH HHS R01 GM092855
6 · The paper itself

Abstract

In enzymes, the active site is the location where incoming substrates are chemically converted to products. In some enzymes, this site is deeply buried within the core of the protein, and, in order to access the active site, substrates must pass through the body of the protein via a tunnel. In many systems, these tunnels act as filters and have been found to influence both substrate specificity and catalytic mechanism. Identifying and understanding how these tunnels exert such control has been of growing interest over the past several years because of implications in fields such as protein engineering and drug design. This growing interest has spurred the development of several computational methods to identify and analyze tunnels and how ligands migrate through these tunnels. The goal of this review is to outline how tunnels influence substrate specificity and catalytic efficiency in enzymes with buried active sites and to provide a brief summary of the computational tools used to identify and evaluate these tunnels.

Indexed as

Catalytic DomainComputational BiologyComputer SimulationEnzymesModels, MolecularProtein ConformationSoftwareStructure-Activity RelationshipEnzymesburied active siteCAVERIterTunnelMOLEprotein tunnelsREMDstructure-function relationship

Identifiers

PMID25663659
PMCPMC4404149

What OpenQuestion holds

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.