3GL2

crystal structure of dicamba monooxygenase bound to dicamba

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 97
  • Norm. En. per Res.: -4.2179
• 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	-36.8128	-129.4813	-313.31	-479.6041	116	13	11	12849	7	39	28
A-C	-28.3875	-115.4019	-314.638	-458.4275	112	11	11	12728	6	41	28
B-C	-41.4542	-124.616	-243.066	-409.1362	97	8	9	10365	7	36	20

Interface residues

• A-B: ALA161B, ALA300B, ALA306B, ALA310B, ALA316B, ALA323B, ALA324B, ALA33A, ALA54A, ALA90A, ALA93A, ARG166B, ARG176B, ARG179B, ARG25A, ARG303B, ARG304B, ARG305B, ARG314B, ARG326B, ARG52A, ARG6A, ARG91A, ARG98A, ASN154B, ASN311B, ASN84A, ASN88A, ASN96A, ASP153B, ASP157B, ASP175B, ASP294B, ASP29A, ASP321B, ASP47A, ASP58A, CYS320B, CYS49A, CYS68A, CYS81A, GLN162B, GLN170B, GLN67A, GLU178B, GLU293B, GLU299B, GLU302B, GLU309B, GLU322B, GLU74A, GLY159B, GLY24A, GLY312B, GLY59A, GLY72A, GLY87A, GLY89A, HIS160B, HIS165B, HIS51A, HIS71A, HIS83A, HIS86A, ILE27A, ILE301B, ILE313B, ILE48A, ILE60A, LEU150B, LEU151B, LEU155B, LEU158B, LEU177B, LEU28A, LEU318B, LEU32A, LEU46A, LEU56A, LEU61A, LEU73A, LEU95A, LYS149B, MET156B, MET317B, PHE100A, PHE174B, PHE53A, PHE75A, PRO113A, PRO315B, PRO31A, PRO50A, PRO55A, PRO69A, PRO85A, PRO92A, SER319B, SER328B, SER57A, SER94A, THR26A, THR30A, TYR163B, TYR307B, TYR70A, VAL152B, VAL164B, VAL296B, VAL297B, VAL298B, VAL308B, VAL325B, VAL327B, VAL62A, VAL97A
• A-C: ALA161A, ALA300A, ALA306A, ALA310A, ALA316A, ALA323A, ALA324A, ALA33C, ALA54C, ALA90C, ALA93C, ARG166A, ARG179A, ARG25C, ARG303A, ARG304A, ARG305A, ARG314A, ARG326A, ARG52C, ARG6C, ARG91C, ARG98C, ASN154A, ASN311A, ASN84C, ASN88C, ASN96C, ASP153A, ASP157A, ASP175A, ASP294A, ASP29C, ASP321A, ASP47C, ASP58C, CYS320A, CYS49C, CYS68C, CYS81C, GLN162A, GLN67C, GLU299A, GLU302A, GLU309A, GLU322A, GLU74C, GLY159A, GLY24C, GLY312A, GLY59C, GLY72C, GLY87C, GLY89C, HIS160A, HIS165A, HIS51C, HIS71C, HIS83C, HIS86C, ILE27C, ILE301A, ILE313A, ILE48C, ILE60C, LEU150A, LEU151A, LEU155A, LEU158A, LEU177A, LEU28C, LEU318A, LEU32C, LEU46C, LEU56C, LEU61C, LEU73C, LEU95C, LYS149A, MET156A, MET317A, PHE100C, PHE174A, PHE53C, PHE75C, PRO113C, PRO315A, PRO31C, PRO50C, PRO55C, PRO69C, PRO85C, PRO92C, SER319A, SER328A, SER57C, SER94C, THR26C, THR30C, TYR163A, TYR307A, TYR70C, VAL152A, VAL164A, VAL296A, VAL297A, VAL298A, VAL308A, VAL325A, VAL327A, VAL62C, VAL97C
• B-C: ALA300C, ALA306C, ALA310C, ALA316C, ALA323C, ALA324C, ALA33B, ALA54B, ALA90B, ALA93B, ARG179C, ARG25B, ARG303C, ARG304C, ARG305C, ARG314C, ARG326C, ARG52B, ARG6B, ARG91B, ARG98B, ASN154C, ASN311C, ASN84B, ASN88B, ASN96B, ASP153C, ASP157C, ASP294C, ASP29B, ASP321C, ASP47B, ASP58B, CYS320C, CYS49B, CYS68B, CYS81B, GLU293C, GLU299C, GLU302C, GLU309C, GLU322C, GLY24B, GLY312C, GLY59B, GLY72B, GLY87B, GLY89B, HIS51B, HIS71B, HIS86B, ILE27B, ILE301C, ILE313C, ILE48B, LEU150C, LEU151C, LEU155C, LEU158C, LEU28B, LEU290C, LEU318C, LEU32B, LEU46B, LEU56B, LEU73B, LEU95B, LYS149C, MET156C, MET317C, PHE100B, PHE53B, PHE75B, PRO113B, PRO315C, PRO31B, PRO50B, PRO55B, PRO69B, PRO85B, PRO92B, SER319C, SER328C, SER57B, SER94B, THR26B, THR30B, TYR307C, TYR70B, VAL152C, VAL296C, VAL297C, VAL298C, VAL308C, VAL325C, VAL327C, VAL97B