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. 2013 May 20;288(27):19760–19772. doi: 10.1074/jbc.M112.426288

TABLE 4.

Comparison of the estimates of accessible surface area and the buried surface area in the GIPr ECD-Gipg013 Fab and GIPr ECD-GIP(1–42)complexes using PISA

Complex Accessible surface area Buried surface area ΔGinta ΔGdissb
Å2 Å2 kcal/m kcal/m
GIPr ECD- Gipg013 Fab, A-PQc 23,740 5210 −34.0 4.0
GIPr ECD- Gipg013 Fab, B-CDc 24,300 5110 −39.5 7.1
GIPr ECD-GIP(1–42), PDB code 2QKH 7920 1250 −7.9 −0.3

a Solvation free energy gain upon formation of the assembly, in kcal/m.

b Free energy of assembly dissociation, in kcal/m, where ΔGdiss > 0 indicates a thermodynamically stable complex.

c A-PQ and B-CD denote the complex chains in the asymmetric unit of the crystal structure of GIPr ECD- Gipg013 Fab, where A and B are GIPr ECDs, and PQ and CD are Fab fragments of Gipg013. When the interface of heavy and light chains of Gipg013 Fab is excluded in the complex for free energy calculations, complex 1 (A-PQ) has a ΔGint and ΔGdiss of −11.9 and 2.4, respectively. Complex 2 (B-CD) has a ΔGint and ΔGdiss of −12.1 and 2.2, respectively, indicating a stable complex compared with GIPr ECD-GIP(1–42).