2DDS

crystal structure of sphingomyelinase from bacillus cereus with cobalt ion

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 48
  • Norm. En. per Res.: -1.8143
• Hub Node: B(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-C	-5.2822	0.9921	-48.3279	-52.618	49	0	0	2202	0	30	24
B-C	0.0	9.1496	-57.0145	-47.8649	58	0	1	3218	0	19	24
B-D	-6.9237	-17.2719	-62.8909	-87.0864	48	0	1	2714	0	31	24

Interface residues

• A-C: ALA112A, ALA112C, ASN73A, ASN73C, ASP142A, ASP142C, ASP87A, ASP87C, GLU113A, GLU113C, GLU70A, GLU70C, GLU85A, GLU85C, GLY83A, GLY83C, ILE111A, ILE111C, ILE138A, ILE138C, LYS108A, LYS108C, LYS114A, LYS114C, LYS137A, LYS137C, LYS139A, LYS139C, LYS68A, LYS68C, LYS69C, LYS88A, LYS88C, PHE144A, PHE144C, PRO110A, PRO110C, PRO72A, PRO72C, SER107A, SER107C, SER84A, SER84C, TRP109A, TRP109C, TRP86A, TRP86C, TYR71A, TYR71C
• B-C: ASN269C, ASN45B, ASN45C, ASN7B, ASP41B, ASP41C, ASP8B, ASP8C, GLN273B, GLN273C, GLN46B, GLN46C, GLU268B, GLU268C, GLU300B, GLU300C, GLY227B, GLY227C, HIS228B, HIS228C, ILE267B, ILE267C, ILE303B, ILE303C, LEU10B, LEU10C, LEU272B, LEU272C, LYS11B, LYS11C, LYS270B, LYS270C, LYS275B, LYS275C, LYS44B, LYS44C, MET305B, MET305C, PRO274B, PRO274C, SER224B, SER224C, SER265B, SER265C, SER304B, SER304C, THR226B, THR226C, THR302B, THR302C, THR9B, THR9C, TYR225B, TYR225C, TYR266B, TYR266C, VAL271B, VAL271C
• B-D: ALA112B, ALA112D, ASN73B, ASN73D, ASP142B, ASP142D, ASP87B, ASP87D, GLU113B, GLU113D, GLU70B, GLU70D, GLU85B, GLU85D, GLY83B, GLY83D, ILE111B, ILE111D, ILE138B, ILE138D, LYS108B, LYS108D, LYS114B, LYS114D, LYS137B, LYS137D, LYS139B, LYS139D, LYS182B, LYS69D, LYS88B, LYS88D, PHE144B, PHE144D, PRO110B, PRO110D, PRO72B, PRO72D, SER107B, SER107D, SER84B, SER84D, TRP109B, TRP109D, TRP86B, TRP86D, TYR71B, TYR71D