Evidence map›Paper›PMID 40400345›Full record

ArticleProtein science : a publication of the Protein Society2025

3-D substructure search by transitive closure in AlphaFold database.

Hao Liu, Aleksi Laiho, Petri Törönen, Liisa Holm

Abstract read
In one paragraph

Article in Protein science : a publication of the Protein Society, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Structural basis for non-AUG translation regulation by 5MPs.bioRxiv : the preprint server for biology · 2025
    Article
  3. 3-D substructure search by transitive closure in AlphaFold database.Protein science : a publication of the Protein Society · 2025
    Article
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

4 authors.

Hao LiuOrganismal and Evolutionary Biology Research Program, Faculty of Biological and Environmental Sciences, University of Helsinki, Helsinki, Finland.
Aleksi LaihoOrganismal and Evolutionary Biology Research Program, Faculty of Biological and Environmental Sciences, University of Helsinki, Helsinki, Finland.
Petri TörönenOrganismal and Evolutionary Biology Research Program, Faculty of Biological and Environmental Sciences, University of Helsinki, Helsinki, Finland.
Liisa HolmOrganismal and Evolutionary Biology Research Program, Faculty of Biological and Environmental Sciences, University of Helsinki, Helsinki, Finland.ORCID 0000-0002-7807-2966

Funding

Research Council of Finland 357350
6 · The paper itself

Abstract

Identifying structural relationships between proteins is crucial for understanding their functions and evolutionary histories. We present ISS_ProtSci, a Python package designed for structural similarity searches within the AlphaFold Database v2 (AFDB2). ISS_ProtSci incorporates DaliLite to identify geometrically similar structures and uses a transitive closure algorithm to iteratively explore neighboring shells of proteins. The precomputed all-against-all comparisons generated by Foldseek, chosen for its speed, are validated by DaliLite for precision. Search results are annotated with metadata from UniProtKB and Pfam protein family classifications, using hmmsearch to identify protein domains. Outputs, including Dali pairwise alignment data, are provided in TSV format for easy filtering and analysis. Our method offers a significant improvement in recall over existing tools like Foldseek, especially in detecting more distantly related proteins. This is particularly valuable in structurally diverse protein families where traditional sequence-based or fast structural methods struggle. ISS_ProtSci delivers practical runtimes and flexibility, allowing users to input a PDB file, define the minimum size of the common core, and evaluate results using Pfam clans. In evaluating our method across 12 test cases based on Pfam clans, we achieved over 99% recall of relevant proteins, even in challenging cases where Foldseek's recall dropped below 50%. ISS_ProtSci not only identifies closely related proteins but also uncovers previously unrecognized structural relationships, contributing to more accurate protein family classifications. The software can be downloaded from http://ekhidna2.biocenter.helsinki.fi/ISS_ProtSci/.

Indexed as

Databases, ProteinProteinsSoftwareAlgorithmsProtein FoldingProteinsDaliFoldseekPfamprotein spacesuperfamily

Identifiers

PMID40400345
PMCPMC12095923

What OpenQuestion holds

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LicenceCC BY
Read underepoch 390

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.