2CS7

1.2 a crystal structure of the s. pneumoniae phta histidine triad domain a novel zinc binding fold

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 54
  • Norm. En. per Res.: -3.8719
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-28.4377	-14.0922	-107.891	-150.4209	47	7	3	3972	1	7	11
A-C	-33.7242	30.4208	-205.78	-209.0834	54	4	5	6771	0	36	32
B-C	0.0	0.0	-0.0545	-0.0545	11	0	0	28	0	1	3

Interface residues

• A-B: ALA13A, ALA23B, ALA42B, ALA46B, ALA47B, ALA48B, ALA50A, ALA50B, ASN12A, ASN38B, ASP15A, ASP19B, ASP22B, ASP30A, GLU18A, GLU39B, GLU44B, GLU49B, GLY21B, GLY29A, GLY54A, GLY54B, HIS28A, HIS31A, HIS33A, ILE16A, ILE17A, ILE25A, LEU40B, LEU45B, LEU52A, LEU52B, LYS37B, PHE51A, PHE51B, PRO27A, PRO36B, SER14A, SER41B, SER43B, SER53A, SER53B, THR20B, TYR24B, TYR32A, TYR9A, VAL26A
• A-C: ALA23A, ALA23C, ASN38A, ASN38C, ASP22A, ASP22C, ASP30A, ASP30C, ASP6A, ASP6C, ASP7A, ASP7C, GLU18A, GLU18C, GLU39A, GLU39C, GLY29A, GLY29C, GLY8A, GLY8C, HIS28A, HIS28C, HIS31A, HIS31C, HIS33A, HIS33C, ILE17A, ILE17C, ILE25A, ILE25C, ILE35A, ILE35C, PRO27A, PRO27C, PRO36A, PRO36C, THR20A, THR20C, THR4A, THR4C, THR5A, THR5C, TYR24A, TYR24C, TYR32A, TYR32C, TYR34A, TYR34C, TYR3A, TYR3C, TYR9A, TYR9C, VAL26A, VAL26C
• B-C: ALA42B, ALA46B, ALA50B, ASN38C, ASP6C, GLU39C, GLY54B, PRO36C, SER43B, SER53B, TYR34C