From 20ad0a21eb49febcaad4a6f5d71aa6b701512e5b Mon Sep 17 00:00:00 2001 From: Augustin Zidek Date: Mon, 20 Jan 2025 17:21:34 +0000 Subject: [PATCH] Add antibody-antigen metadata from AlphaFold 3 paper PiperOrigin-RevId: 717534278 --- docs/metadata_antibody_antigen.csv | 167 +++++++++++++++++++++++++++++ docs/metadata_antibody_antigen.md | 9 ++ 2 files changed, 176 insertions(+) create mode 100644 docs/metadata_antibody_antigen.csv create mode 100644 docs/metadata_antibody_antigen.md diff --git a/docs/metadata_antibody_antigen.csv b/docs/metadata_antibody_antigen.csv new file mode 100644 index 0000000..8c25612 --- /dev/null +++ b/docs/metadata_antibody_antigen.csv @@ -0,0 +1,167 @@ +pdb_id,chain_id_1,chain_id_2,cluster_key_chain_1,cluster_key_chain_2,interface_cluster_key +7fci,A,B,5581,5964,5581|5964 +7fci,A,C,5581,17640,17640|5581 +7mnl,A,C,8677,17640,17640|8677 +7n0a,A,B,33602,5964,33602|5964 +7n0a,A,C,33602,17640,17640|33602 +7ox1,A,G,17640,41184,17640|41184 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+8dkx,B,C,5964,13979,13979|5964 +8hii,A,B,21158,17640,17640|21158 +8hii,A,D,21158,5964,21158|5964 +8hij,A,B,21158,17640,17640|21158 +8hij,A,D,21158,5964,21158|5964 +8hik,A,B,21158,17640,17640|21158 +8hik,A,D,21158,5964,21158|5964 +7so7,A,F,3006,5964,3006|5964 +7xy8,A,C,2517,17640,17640|2517 +7xy8,A,E,2517,5964,2517|5964 \ No newline at end of file diff --git a/docs/metadata_antibody_antigen.md b/docs/metadata_antibody_antigen.md new file mode 100644 index 0000000..97a82f4 --- /dev/null +++ b/docs/metadata_antibody_antigen.md @@ -0,0 +1,9 @@ +# Metadata for Antibody-Antigen pairs used to create figure 5a. + +Figure 5a in the AlphaFold 3 paper was created using 71 antibody–antigen +complexes, containing 166 antibody–antigen interfaces spanning 65 interface +clusters. Scores were averaged within each interface cluster then across +clusters. We provide metadata for these complexes and the associated clusters in +this CSV file: + +https://github.com/google-deepmind/alphafold3/blob/main/docs/metadata_antibody_antigen.csv