3H6X

crystal structure of dutpase from streptococcus mutans

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 86
  • Norm. En. per Res.: -4.2151
• 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	-63.6059	-13.0861	-285.806	-362.4981	86	15	13	10765	0	16	15
A-C	-54.6488	-9.1816	-278.408	-342.2384	85	16	13	10515	0	15	15
B-C	-44.6181	-9.4466	-270.516	-324.5806	84	12	13	10227	0	14	14

Interface residues

• A-B: ALA25B, ALA27B, ALA28B, ALA54B, ARG22B, ARG5B, ARG67B, ARG72B, ASN70B, ASN80A, ASN80B, ASP131A, ASP66B, ASP86A, ASP88A, GLN102A, GLN121B, GLN57A, GLN57B, GLU23B, GLU60A, GLU60B, GLY122B, GLY132A, GLY29B, GLY59A, GLY59B, GLY6B, GLY75B, GLY83A, GLY87A, HIS26B, ILE130A, ILE45A, ILE79A, ILE79B, ILE85A, LEU128A, LEU129A, LEU19B, LEU47A, LEU62A, LEU62B, LEU64B, LEU76B, LEU78A, LEU78B, LYS104A, LYS104B, LYS21B, LYS3B, LYS73B, LYS74B, PHE100A, PHE124B, PHE127A, PHE127B, PHE65A, PHE65B, PHE7B, PRO126A, PRO126B, PRO20B, PRO71B, SER68B, SER69B, SER81A, SER81B, THR107B, THR24B, THR4B, TYR30B, TYR55B, TYR63A, TYR63B, TYR89A, VAL123B, VAL46A, VAL58A, VAL61A, VAL61B, VAL77A, VAL77B, VAL82A, VAL82B, VAL84A
• A-C: ALA25A, ALA27A, ALA28A, ALA54A, ARG22A, ARG5A, ARG67A, ARG72A, ASN70A, ASN80A, ASN80C, ASP131C, ASP66A, ASP86C, ASP88C, GLN102C, GLN121A, GLN57A, GLN57C, GLU23A, GLU60A, GLU60C, GLY122A, GLY132C, GLY29A, GLY59A, GLY59C, GLY6A, GLY75A, GLY83C, GLY87C, HIS26A, ILE130C, ILE45C, ILE79A, ILE79C, ILE85C, LEU128C, LEU129C, LEU19A, LEU47C, LEU62A, LEU62C, LEU64A, LEU76A, LEU78A, LEU78C, LYS104A, LYS104C, LYS21A, LYS73A, LYS74A, PHE100C, PHE124A, PHE127A, PHE127C, PHE65A, PHE65C, PHE7A, PRO126A, PRO126C, PRO20A, PRO71A, SER68A, SER69A, SER81A, SER81C, THR107A, THR24A, THR4A, TYR30A, TYR55A, TYR63A, TYR63C, TYR89C, VAL123A, VAL46C, VAL58C, VAL61A, VAL61C, VAL77A, VAL77C, VAL82A, VAL82C, VAL84C
• B-C: ALA25C, ALA27C, ALA28C, ALA54C, ARG22C, ARG5C, ARG67C, ARG72C, ASN70C, ASN80B, ASN80C, ASP131B, ASP66C, ASP86B, ASP88B, GLN102B, GLN121C, GLN57B, GLN57C, GLU23C, GLU60B, GLU60C, GLY122C, GLY132B, GLY29C, GLY59B, GLY59C, GLY6C, GLY75C, GLY83B, GLY87B, HIS26C, ILE130B, ILE45B, ILE79B, ILE79C, ILE85B, LEU128B, LEU129B, LEU19C, LEU47B, LEU62B, LEU62C, LEU64C, LEU76C, LEU78B, LEU78C, LYS104B, LYS104C, LYS21C, LYS73C, LYS74C, PHE100B, PHE124C, PHE127B, PHE127C, PHE65B, PHE65C, PHE7C, PRO126B, PRO126C, PRO20C, PRO71C, SER68C, SER69C, SER81B, SER81C, THR107C, THR24C, TYR30C, TYR55C, TYR63B, TYR63C, TYR89B, VAL123C, VAL46B, VAL58B, VAL61B, VAL61C, VAL77B, VAL77C, VAL82B, VAL82C, VAL84B