SurfPotDB

SurfPotDB is an open database of protein surface electrostatic potentials computed with a single, reproducible Poisson–Boltzmann protocol. For each covered PDB structure, SurfPotDB provides surface potential maps (in kT/e, T=298.15 K), electrostatic energy terms (in kT), protonated PQR files with per-atom charges and radii, and downloadable data for reuse in structural analysis and machine-learning workflows. Search by PDB code to retrieve the computed representative for that structure or, when applicable, the representative of its 90%-sequence-identity cluster.

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Filters

Filters combine with each other and with the table search below. Surface-potential filters refer to the min/max of the electrostatic potential on the molecular surface (kT/e).

By GO molecular function; enzymes also split by EC class.

All computed structures (…)

Search, sort and filter the full set. Click a row's PDB code to load it in the lookup box above.

PDB UniProt Protein Epol Eion Ecoul Etot φmin φmax Residues Downloads