2DDR

crystal structure of sphingomyelinase from bacillus cereus with calcium ion

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 47
  • Norm. En. per Res.: -1.9058
• 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	0.0	7.0612	-34.1737	-27.1125	25	1	0	1229	0	1	1
A-D	0.0	8.3055	-63.7128	-55.4073	64	0	1	3592	1	20	26
B-C	0.0	8.0664	-59.2103	-51.1439	60	0	1	3417	0	20	26
B-D	-10.4231	-7.5494	-71.6001	-89.5726	47	4	0	3191	0	7	7
C-D	0.0	0.0	-0.0128	-0.0128	6	0	0	10	0	4	5

Interface residues

• A-B: ARG143A, ASN141A, ASN243B, ASN7A, ASP142A, ASP246B, ASP47A, ASP8A, GLN286B, LEU24B, LYS108A, LYS139A, LYS140A, PHE244B, PHE285B, PRO110A, PRO245B, PRO26B, PRO72A, SER283B, TRP109A, TRP284B, TYR242B, TYR25B, TYR288B
• A-D: ASN269A, ASN269D, ASN45A, ASN45D, ASN7A, ASP41A, ASP41D, ASP8A, ASP8D, GLN273A, GLN273D, GLN46A, GLN46D, GLU204D, GLU268A, GLU268D, GLU300A, GLU300D, GLY227A, GLY227D, HIS228A, HIS228D, ILE267A, ILE267D, ILE303A, ILE303D, LEU10A, LEU10D, LEU272A, LEU272D, LYS11A, LYS11D, LYS200D, LYS270A, LYS270D, LYS275A, LYS275D, LYS44A, LYS44D, MET305A, MET305D, PRO223D, PRO274A, PRO274D, SER224A, SER224D, SER265A, SER265D, SER304A, SER304D, THR226A, THR226D, THR229D, THR302A, THR302D, THR9A, THR9D, TYR225A, TYR225D, TYR266A, TYR266D, TYR42D, VAL271A, VAL271D
• B-C: ALA301C, 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, TYR42B, VAL271B, VAL271C
• B-D: ALA203D, ALA212D, ALA234B, ALA240B, ALA249D, ASN202D, ASN205D, ASN206D, ASN207D, ASN237B, ASN243B, ASN291B, ASP208D, ASP233B, ASP246B, ASP292B, GLN278B, GLN286B, GLU204D, ILE201D, ILE239B, LYS200D, LYS216D, LYS241B, LYS259D, LYS275B, LYS287B, PHE215D, PHE285B, PRO245B, PRO248D, SER209D, SER221D, SER238B, THR229D, THR235B, THR236B, THR280B, THR289B, TRP28B, TYR211D, TYR225D, TYR242B, TYR288B, TYR290B, TYR297B, VAL222D
• C-D: ARG62C, ASP208D, LYS161D, LYS216D, LYS44C, LYS69C