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Cross-map protein structure features to UniProt feature CV
Add UniProt core ontology (purl.uniprot.org/core) cross-mappings to the protein_structure_features value sets, complementing the OBO-first SO meanings: - Secondary structure: broad_mappings to Helix_Annotation / Beta_Strand_Annotation (UniProt is 3-state vs SS8 8-state); TURN exact_mapping to Turn_Annotation. - Sites/modifications: Coiled_Coil_Annotation (exact), Active_Site_Annotation (related), Binding_Site_Annotation (broad, for protein- and metal-binding sites), Disulfide_Bond_Annotation (exact). Declare the uniprot_core prefix. Geometric surface features (pocket, cleft, elbow, etc.) remain unmapped as neither SO nor UniProt provides terms.
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src/valuesets/schema/bio/protein_structure_features.yaml

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@@ -22,6 +22,7 @@ prefixes:
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linkml: https://w3id.org/linkml/
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SO: http://purl.obolibrary.org/obo/SO_
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EDAM: http://edamontology.org/
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uniprot_core: http://purl.uniprot.org/core/
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valuesets: https://w3id.org/valuesets/
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orcid: https://orcid.org/
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valuesets_meta: https://w3id.org/valuesets/meta/
@@ -51,33 +52,43 @@ enums:
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title: alpha helix
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description: Right-handed alpha helix (3.6 residues/turn, i to i+4 hydrogen bonding)
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meaning: SO:0001117
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broad_mappings:
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- uniprot_core:Helix_Annotation
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annotations:
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dssp_code: H
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ss8_class: H
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THREE_TEN_HELIX:
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title: 3-10 helix
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description: 3-10 helix (3 residues/turn, i to i+3 hydrogen bonding)
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meaning: SO:0001119
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broad_mappings:
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- uniprot_core:Helix_Annotation
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annotations:
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dssp_code: G
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ss8_class: G
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PI_HELIX:
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title: pi helix
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description: Pi helix (4.1 residues/turn, i to i+5 hydrogen bonding)
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meaning: SO:0001118
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broad_mappings:
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- uniprot_core:Helix_Annotation
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annotations:
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dssp_code: I
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ss8_class: I
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BETA_STRAND:
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title: beta strand
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description: Extended beta strand participating in a beta sheet
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meaning: SO:0001111
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broad_mappings:
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- uniprot_core:Beta_Strand_Annotation
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annotations:
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dssp_code: E
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ss8_class: E
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BETA_BRIDGE:
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title: isolated beta bridge
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description: Residue in an isolated single-pair beta bridge
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broad_mappings:
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- uniprot_core:Beta_Strand_Annotation
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annotations:
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dssp_code: B
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ss8_class: B
@@ -86,6 +97,8 @@ enums:
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title: hydrogen-bonded turn
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description: Hydrogen-bonded turn reversing backbone direction over <=4 residues
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meaning: SO:0001128
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exact_mappings:
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- uniprot_core:Turn_Annotation
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annotations:
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dssp_code: T
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ss8_class: T
@@ -145,6 +158,8 @@ enums:
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title: coiled coil
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description: Two or more alpha helices wound together like strands of a rope
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meaning: SO:0001080
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exact_mappings:
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- uniprot_core:Coiled_Coil_Annotation
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HELIX_CAP:
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title: helix cap
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description: N-cap or C-cap residue terminating an alpha helix
@@ -154,20 +169,28 @@ enums:
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title: catalytic residue
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description: An amino acid residue directly involved in enzyme catalysis (active site)
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meaning: SO:0001104
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related_mappings:
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- uniprot_core:Active_Site_Annotation
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PROTEIN_BINDING_SITE:
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title: protein binding site
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description: A site that interacts selectively and non-covalently with polypeptide molecules
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meaning: SO:0000410
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broad_mappings:
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- uniprot_core:Binding_Site_Annotation
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DISULFIDE_BOND:
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title: disulfide bond
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description: A covalent S-S bond between two cysteine residues
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exact_mappings:
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- uniprot_core:Disulfide_Bond_Annotation
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annotations:
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ontology_gap: 'true'
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obo_gap: 'true'
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METAL_BINDING_SITE:
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title: metal binding site
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description: A local site coordinating one or more metal ions
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broad_mappings:
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- uniprot_core:Binding_Site_Annotation
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annotations:
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ontology_gap: 'true'
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obo_gap: 'true'
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POCKET:
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title: binding pocket
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description: A concave, solvent-accessible surface depression that can accommodate a ligand

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