AstraBIND
Where Ligands Bind — and What Binds
Function often comes down to a pocket. AstraBIND locates the residues that make up ligand-binding sites and retrieves the ligand types most likely to sit there — combining sequence, structure, and homology in a single pass.
A 2-Million-Ligand Panel, from Sequence
AstraBIND groups binding residues into coherent pockets and screens them against a curated panel of over 2 million ligands in 17 categories — nucleotides, cofactors, metals, peptides and more — fusing sequence, structure, and homology in a single pass.
Real Structure · Abl Kinase + Imatinib (PDB 1IEP)
A Ligand, Bound in Its Pocket
What It Returns
Two Answers About the Pocket
Not a single score, but the pieces you need to reason about a binding site — which residues form it, and what it likely binds.
Binding Residues
A per-residue read on which positions line a binding site — the contact surface, not just a yes/no for the whole protein.
Ligand Types
Which of 17 ligand categories is most likely to bind — nucleotides, cofactors, metals, peptides and more — retrieved from a 2M+ ligand panel.
In Context
The Site, on the Structure
Binding residues are shown against the fold and membrane topology, so the pocket reads as a cluster — not a scattered list of positions.
Illustrative Read-Out for a Well-Characterized Pocket.
Recovered in Practice
Real Pockets, Found from Sequence
On well-characterized proteins, AstraBIND recovers the pockets a structural biologist would point to — working from sequence alone.
β2-Adrenergic Receptor
Recovered the orthosteric ligand pocket of the GPCR.
Hemoglobin β-Chain
Located the heme-binding pocket.
Calmodulin
Found all four Ca²⁺-binding EF-hand sites.
Strongest where the binding chemistry is well-defined; weighted macro-F1 0.47 across all 17 ligand classes.
Where It's Tested
Binding, Benchmarked Across Families
Binding-site and pocket-triage performance is reported at scale in the open Model Performance whitepapers — across the families where getting the pocket right matters most.
Put Astra on Your Targets
Every Astra model runs inside the Orbion platform. Bring a sequence and get the full read-out — structure, function, modifications, binding, and stability.