2CAN

human ornithine aminotransferase complexed with l-canaline

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 379
  • Norm. En. per Res.: -5.7415
• 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	-326.8173	-82.626	-1766.59	-2176.0333	379	73	43	64046	6	94	101
A-C	0.0	-6.2837	-37.4178	-43.7015	17	0	0	1502	1	8	8
B-C	-20.6039	26.4808	-119.848	-113.9711	80	3	0	5014	0	14	13

Interface residues

• A-B: ALA114A, ALA114B, ALA149A, ALA149B, ALA153A, ALA153B, ALA168A, ALA168B, ALA184A, ALA184B, ALA293A, ALA293B, ALA404A, ALA404B, ALA52A, ALA52B, ALA61A, ALA61B, ALA87A, ALA87B, ARG113A, ARG113B, ARG154A, ARG154B, ARG180A, ARG180B, ARG331A, ARG331B, ARG398A, ARG398B, ARG413A, ARG413B, ARG46A, ARG46B, ARG64A, ARG64B, ASN117A, ASN117B, ASN118A, ASN118B, ASN140A, ASN140B, ASN326A, ASN326B, ASN54A, ASN54B, ASN89A, ASN89B, ASN99A, ASN99B, ASP106A, ASP106B, ASP190A, ASP190B, ASP195A, ASP195B, ASP308A, ASP308B, ASP42A, ASP42B, ASP72A, ASP72B, ASP80A, ASP80B, CYS150A, CYS150B, CYS306A, CYS306B, CYS394A, CYS394B, CYS93A, CYS93B, GLN104A, GLN104B, GLN164A, GLN164B, GLN266A, GLN266B, GLU122A, GLU122B, GLU124A, GLU124B, GLU125A, GLU125B, GLU144A, GLU144B, GLU147A, GLU147B, GLU235A, GLU318A, GLU318B, GLU45A, GLU45B, GLU47A, GLU47B, GLU63A, GLU63B, GLY121A, GLY121B, GLY142A, GLY142B, GLY146A, GLY146B, GLY157A, GLY157B, GLY179A, GLY179B, GLY196A, GLY196B, GLY198A, GLY198B, GLY203A, GLY203B, GLY291A, GLY291B, GLY296A, GLY296B, GLY297A, GLY297B, GLY317A, GLY317B, GLY320A, GLY320B, GLY324A, GLY324B, GLY325A, GLY325B, GLY329A, GLY329B, GLY51A, GLY51B, GLY65A, GLY65B, GLY91A, GLY91B, HIS134A, HIS134B, HIS319A, HIS319B, HIS53A, HIS53B, HIS56A, HIS56B, HIS92A, HIS92B, HIS94A, HIS94B, ILE127A, ILE127B, ILE163A, ILE163B, ILE170A, ILE170B, ILE185A, ILE185B, ILE265A, ILE265B, ILE314A, ILE314B, ILE334A, ILE334B, ILE43A, ILE43B, ILE97A, ILE97B, LEU101A, LEU101B, LEU108A, LEU108B, LEU110A, LEU110B, LEU120A, LEU120B, LEU137A, LEU137B, LEU152A, LEU152B, LEU182A, LEU182B, LEU294A, LEU294B, LEU298A, LEU298B, LEU305A, LEU305B, LEU312A, LEU312B, LEU328A, LEU328B, LEU402A, LEU402B, LEU403A, LEU403B, LEU58A, LEU58B, LEU62A, LEU62B, LEU70A, LEU70B, LEU82A, LEU82B, LYS102A, LYS102B, LYS107A, LYS107B, LYS129A, LYS129B, LYS135A, LYS135B, LYS151A, LYS151B, LYS155A, LYS155B, LYS165A, LYS165B, LYS167A, LYS167B, LYS169A, LYS169B, LYS292A, LYS292B, LYS315A, LYS315B, LYS405A, LYS405B, LYS49A, LYS49B, LYS66A, LYS66B, MET139A, MET139B, MET201A, MET201B, MET311A, MET311B, PHE115A, PHE115B, PHE172A, PHE172B, PHE177A, PHE177B, PHE197A, PHE197B, PHE200A, PHE200B, PHE204A, PHE204B, PHE44A, PHE44B, PHE79A, PHE79B, PHE81A, PHE81B, PRO138A, PRO138B, PRO191A, PRO191B, PRO199A, PRO199B, PRO202A, PRO202B, PRO300A, PRO300B, PRO316A, PRO316B, PRO327A, PRO327B, PRO38A, PRO38B, PRO406A, PRO406B, PRO57A, PRO57B, PRO59A, PRO59B, PRO95A, PRO95B, SER103A, SER103B, SER112A, SER112B, SER183A, SER183B, SER186A, SER186B, SER193A, SER193B, SER295A, SER295B, SER302A, SER302B, SER321A, SER321B, SER40A, SER40B, SER83A, SER83B, SER84A, SER84B, SER86A, SER86B, THR109A, THR109B, THR111A, THR111B, THR128A, THR128B, THR141A, THR141B, THR148A, THR148B, THR159A, THR159B, THR181A, THR181B, THR192A, THR192B, THR313A, THR313B, THR322A, THR322B, TRP156A, TRP156B, TRP178A, TRP178B, TRP391A, TRP391B, TRP71A, TRP71B, TYR116A, TYR116B, TYR123A, TYR123B, TYR126A, TYR126B, TYR133A, TYR133B, TYR158A, TYR158B, TYR166A, TYR166B, TYR194A, TYR194B, TYR299A, TYR299B, TYR323A, TYR323B, TYR48A, TYR48B, TYR50A, TYR50B, TYR55A, TYR55B, TYR69A, TYR69B, TYR85A, TYR85B, VAL105A, VAL105B, VAL119A, VAL119B, VAL136A, VAL136B, VAL143A, VAL143B, VAL301A, VAL301B, VAL304A, VAL304B, VAL332A, VAL332B, VAL60A, VAL60B, VAL73A, VAL73B, VAL88A, VAL88B, VAL98A, VAL98B
• A-C: ALA214C, ALA218C, ARG217C, ARG255C, GLN164A, GLN220C, GLU216C, HIS256C, LEU212C, LEU215C, LEU219C, LEU252C, LYS165A, LYS167A, PRO213C, PRO222C, TYR166A
• B-C: ALA174B, ALA174C, ALA184B, ALA184C, ALA214B, ALA214C, ALA218B, ALA218C, ARG217B, ARG217C, ASN210B, ASN210C, ASP190B, ASP190C, ASP195B, ASP195C, ASP211B, ASP211C, ASP366B, ASP366C, GLN220B, GLN220C, GLU216B, GLU216C, GLY196B, GLY196C, GLY198B, GLY198C, ILE185B, ILE185C, ILE206B, ILE206C, ILE207B, ILE207C, LEU212B, LEU212C, LEU215B, LEU215C, LYS169B, LYS169C, LYS383B, LYS383C, MET201B, MET201C, PHE197B, PHE197C, PHE200B, PHE200C, PHE204B, PHE204C, PRO191B, PRO191C, PRO199B, PRO199C, PRO208B, PRO208C, PRO213B, PRO213C, SER183B, SER183C, SER186B, SER186C, SER187B, SER187C, SER188B, SER188C, SER193B, SER193C, SER365B, SER365C, THR189B, THR189C, THR192B, THR192C, THR369B, THR369C, TYR194B, TYR194C, VAL368B, VAL368C