This service generates a 3D model of protein-compound complex for a given query protein sequence and query compound, using a homologous protein complex 3D structure as a template.
A query amino acid sequeuce is input by UniProt ID, one letters amino acid sequence, [PDB_ID]+[Chain Identifier] or uploading your PDB file, . A query compound can be input by three ways: input 3-letter compound code of PDB, input a SMILES string, or uploading chemical coumpound file (in SDF, MOL, MOL2 or PDB).
Upload your PDB file:
KEGG compound/drug code:
(D07608, D00002, D01977...)
Upload your 3D compound file:
Draw a query compound by JSME editor
CAUTION: an uploading compound file should have a 3D conformation with proper bond lengthes and angles. A planar 2D structure is not good for 3D modeling.