3ROM

crystal structure of human cd38 in complex with compound cz-48

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 78
  • Norm. En. per Res.: -2.755
• Hub Node: A(1)

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	-45.7111	-57.9186	-111.264	-214.8937	78	7	1	4913	8	46	42

Interface residues

• A-B: ALA92B, ARG177A, ARG177B, ARG194A, ARG269A, ARG47B, ASN182A, ASN182B, ASN229A, ASN270A, ASP100A, ASP100B, ASP105A, ASP105B, ASP164B, ASP175B, ASP179B, ASP217A, ASP219A, ASP219B, CYS180A, CYS180B, CYS99A, CYS99B, GLN107A, GLN231A, GLU103A, GLU103B, GLU104A, GLU104B, GLU198A, GLU233A, GLU261A, GLU263A, GLY223A, HIS228A, HIS97B, ILE101A, ILE101B, ILE265A, ILE266A, ILE94B, LEU230A, LEU262A, LYS178B, LYS190A, LYS214A, LYS214B, LYS218A, LYS260A, LYS268A, LYS96B, PHE163B, PHE216A, PHE44B, PHE93B, PRO174B, PRO232A, PRO98B, SER181A, SER181B, SER224A, SER264A, SER267A, SER51B, SER95B, THR102A, THR102B, THR49B, TRP176A, TRP176B, TRP46B, TRP50B, TYR106B, VAL187A, VAL187B, VAL225A, VAL227A