Table 2.

Description of proteins studied in this work

PDBProteinFunctionIonExpt. ΔGbind (kcal/mol)No. of COO in first/second shell
Mg2+Ca2+
5CPVCarp parvalbuminMuscle contractionCa2+−5.4−11.04/0
1B8LD51A/E101D/F102W mutant of 5CPVCa2+−6.7−8.34/0
4ICBBovine calbindin D9kCalcium transportCa2+−3.0−9.23/0
2CHEResponse regulator protein CheYBacterial chemotaxisMg2+−4.0−4.52/1
4IHBC2A domain from human dysferlinMembrane repairCa2+−5.7−7.42/0
1ZOOI domain from the CD11a integrinLeukocyte adhesionMg2+−6.4−4.71/1
  • Expt., experiment.