Figure 7

Retrieval of functionally diverse heme binding proteins. Heme binding proteins myoglobin (a, CATH code = 1.10.490.10, PDB:1mbn), nitrophorin (c, CATH code = 1.40.128.20, PDB:1np4), and inducible nitric oxide synthase (iNOS) (e, CATH code = 3.90.1230.10, PDB:4nos)[46]. The structures are positioned such that the proprionate groups are all oriented in the same direction. The corresponding heme binding surfaces are shown adjacent, after being rotated 90 degrees along the Y-axis. Shape signatures for each surface are shown in (g). The ROC curves for retrieval of heme binding surfaces querying myoglobin from P. catodon (PDB:1mbn) against the GPSS library (h). The Ampcpr binding surface (i) from ADPRase is the best non-heme binding surface returned from the search. A superposition of the ligands suggests ligand-shape complimentarity driving the binding surface similarity (j).