3I9L

crystal structure of adp ribosyl cyclase complexed with n1-cidpr

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 123
  • Norm. En. per Res.: -5.0445
• 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	-99.259	-121.8926	-399.321	-620.4726	123	15	7	15539	10	50	45

Interface residues

• A-B: ALA233A, ALA233B, ALA245A, ALA245B, ALA251A, ALA251B, ARG14A, ARG14B, ARG22A, ARG22B, ARG232A, ARG232B, ARG246A, ARG246B, ARG249A, ARG249B, ARG29A, ARG29B, ARG5A, ARG5B, ARG92A, ARG92B, ASN107A, ASN107B, ASN230B, ASN242A, ASN242B, ASN244A, ASN244B, ASN89A, ASN89B, ASN9A, ASN9B, ASP17A, ASP17B, ASP241A, ASP241B, ASP82A, ASP82B, ASP86A, ASP86B, CYS15A, CYS15B, CYS239A, CYS239B, CYS248A, CYS248B, CYS34B, GLU19A, GLU19B, GLU247A, GLU247B, GLU6A, GLU6B, GLU83A, GLU83B, GLU8A, GLU8B, GLY103A, GLY13A, GLY13B, HIS85B, ILE20A, ILE20B, LEU106A, LEU106B, LEU109A, LEU109B, LEU12A, LEU12B, LEU235A, LEU235B, LEU237A, LEU237B, LEU238A, LEU238B, LEU24A, LEU24B, LEU250A, LEU250B, LEU7A, LEU7B, LYS16A, LYS16B, LYS93A, LYS93B, MET105A, MET105B, PHE11A, PHE11B, PHE236A, PHE236B, PRO231A, PRO231B, PRO243A, PRO243B, PRO3A, PRO3B, SER108A, SER108B, SER240A, SER240B, THR21A, THR21B, THR4A, THR4B, THR90A, THR90B, TYR104A, TYR104B, TYR18A, TYR18B, TYR23A, TYR23B, TYR81B, TYR87A, TYR87B, VAL10A, VAL10B, VAL110A, VAL110B, VAL234A, VAL234B