3HIA

crystal structure of the choline binding domain of spr1274 in streptococcus pneumoniae

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 58
  • Norm. En. per Res.: -2.8168
• 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	-21.7755	0.0	-141.601	-163.3765	58	7	6	6022	0	1	3
A-C	-45.0939	24.2752	-61.2167	-82.0354	53	4	0	3197	0	2	2
B-C	-8.1847	8.281	-72.8473	-72.7511	53	2	0	2825	0	2	3

Interface residues

• A-B: ALA48B, ALA70A, ALA70B, ASN64A, ASN64B, ASN77A, ASN77B, ASP66A, ASP66B, GLN55A, GLN55B, GLN75A, GLN75B, GLY52A, GLY52B, GLY72A, GLY72B, GLY78A, GLY78B, LEU83A, LEU83B, LYS54A, LYS54B, MET69A, MET69B, PHE62A, PHE62B, PRO49B, SER68A, SER68B, SER79A, SER79B, THR50A, THR50B, THR51A, THR51B, THR65A, THR65B, THR71A, THR71B, TRP53A, TRP53B, TRP60A, TRP60B, TRP73A, TRP73B, TRP80A, TRP80B, TYR61A, TYR63A, TYR63B, TYR81A, TYR81B, VAL47B, VAL74A, VAL74B, VAL76A, VAL76B
• A-C: ALA70A, ALA70C, ASN122C, ASN124C, ASN64A, ASN84A, ASN84C, ASN86A, ASN86C, ASP123C, ASP66A, GLN96A, GLN96C, GLU126C, GLY67A, GLY67C, GLY72A, GLY72C, GLY87A, GLY87C, GLY98A, GLY98C, GLY99A, GLY99C, LEU83C, LYS100A, LYS100C, LYS90A, LYS90C, MET69A, MET69C, PHE95A, PHE95C, SER68A, SER68C, SER85A, SER85C, SER88A, SER88C, THR71A, THR71C, TRP73A, TRP73C, TYR102A, TYR102C, TYR61A, TYR61C, TYR63A, TYR63C, TYR82A, TYR82C, VAL97A, VAL97C
• B-C: ALA111B, ALA70C, ARG120B, ASN105B, ASN113B, ASN122B, ASN124B, ASN124C, ASN64C, ASN77B, ASN77C, ASP123B, ASP123C, ASP66C, GLN75B, GLN75C, GLU109B, GLU126B, GLU126C, GLY125B, GLY52C, GLY67C, GLY72C, GLY78B, GLY78C, GLY98C, LEU110B, LYS100B, PHE62C, SER107B, SER115B, SER68C, SER79B, SER79C, THR114B, THR51C, THR65C, THR71C, TRP53C, TRP73C, TRP80B, TRP80C, TYR102C, TYR63C, TYR81B, TYR81C, VAL112B, VAL121B, VAL128B, VAL74C, VAL76B, VAL76C, VAL97C