3NTJ

redox regulation of plasmodium falciparum ornithine delta- aminotransferase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 291
  • Norm. En. per Res.: -4.5695
• Hub Node: A(3)

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	-197.772	57.4264	-1189.38	-1329.7256	291	47	35	44779	2	53	79
A-C	-4.6838	69.9504	-99.008	-33.7414	55	8	2	4717	2	24	33
A-D	0.0	-2.235	-25.2483	-27.4833	30	18	0	2097	1	8	6
C-D	-169.2529	58.6182	-1158.67	-1269.3047	289	41	36	44369	2	53	80

Interface residues

• A-B: ALA113A, ALA113B, ALA22A, ALA22B, ALA263A, ALA263B, ALA276A, ALA276B, ALA299A, ALA299B, ALA54A, ALA54B, ALA75A, ALA75B, ALA84A, ALA84B, ARG34A, ARG34B, ARG376A, ARG376B, ARG384A, ARG384B, ARG83A, ARG83B, ARG95A, ARG95B, ASN110A, ASN110B, ASN15A, ASN15B, ASN16A, ASN16B, ASN24A, ASN24B, ASN296A, ASN296B, ASN69A, ASN69B, ASN73A, ASN73B, ASN99A, ASN99B, ASP104A, ASP104B, ASP12A, ASP12B, ASP26A, ASP26B, ASP278A, ASP278B, ASP42A, ASP42B, ASP50A, ASP50B, ASP88A, ASP88B, CB8.23823-3.40086, CYS365A, CYS365B, CYS63A, CYS63B, CYS81A, CYS81B, CYS93A, CYS93B, GLN11A, GLN11B, GLN236A, GLN236B, GLN74A, GLN74B, GLU114A, GLU114B, GLU117A, GLU117B, GLU17A, GLU17B, GLU205A, GLU288A, GLU288B, GLU94A, GLU94B, GLY112A, GLY112B, GLY21A, GLY21B, GLY261A, GLY261B, GLY266A, GLY266B, GLY267A, GLY267B, GLY287A, GLY287B, GLY290A, GLY290B, GLY294A, GLY294B, GLY295A, GLY295B, GLY35A, GLY35B, GLY61A, GLY61B, GLY91A, GLY91B, HIS23A, HIS23B, HIS268A, HIS268B, HIS289A, HIS289B, HIS379A, HIS62A, HIS62B, HIS64A, HIS64B, ILE271A, ILE271B, ILE274A, ILE274B, ILE28A, ILE28B, ILE302A, ILE302B, ILE374A, ILE374B, ILE43A, ILE43B, ILE67A, ILE67B, ILE72A, ILE72B, ILE80A, ILE80B, LEU107A, LEU107B, LEU122A, LEU122B, LEU18A, LEU18B, LEU264A, LEU264B, LEU275A, LEU275B, LEU282A, LEU282B, LEU284A, LEU284B, LEU298A, LEU298B, LEU32A, LEU32B, LEU366A, LEU366B, LEU373A, LEU373B, LEU52A, LEU52B, LEU68A, LEU68B, LEU78A, LEU78B, LEU90A, LEU90B, LEU97A, LEU97B, LYS105A, LYS105B, LYS262A, LYS262B, LYS285A, LYS285B, LYS33A, LYS33B, LYS369A, LYS369B, LYS36A, LYS36B, LYS76A, LYS76B, LYS77A, LYS77B, LYS8A, LYS8A5, LYS8B, MET108A, MET108B, MET109A, MET109B, MET14A, MET14B, MET281A, MET281B, MET71A, MET71B, PHE39A, PHE39B, PHE51A, PHE51B, PHE85A, PHE85B, PHE86A, PHE86B, PRO270A, PRO270B, PRO27A, PRO27B, PRO286A, PRO286B, PRO297A, PRO297B, PRO29A, PRO29B, PRO65A, PRO65B, SER10A, SER10B, SER265A, SER265B, SER272A, SER272B, SER291A, SER291B, SER377A, SER377B, SER53A, SER53B, SER56A, SER56B, SER57A, SER57B, SER82A, SER82B, SER87A, SER87B, SER89A, SER89B, THR111A, THR111B, THR118A, THR118B, THR19A, THR19B, THR292A, THR292B, THR375A, THR375B, THR79A, THR79B, THR98A, THR98B, TRP362A, TRP362B, TYR103A, TYR103B, TYR13A, TYR13B, TYR20A, TYR20B, TYR25A, TYR25B, TYR269A, TYR269B, TYR293A, TYR293B, TYR41A, TYR41B, TYR49A, TYR49B, TYR55A, TYR55B, TYR96A, TYR96B, VAL106A, VAL106B, VAL235A, VAL235B, VAL283A, VAL283B, VAL30A, VAL30B, VAL31A, VAL31B, VAL378A, VAL40A, VAL40B, VAL58A, VAL58B, VAL92A, VAL92B
• A-C: ALA184A, ALA220A, ASN227C, ASN277C, ASP104C, ASP180A, ASP181A, ASP213A, ASP278C, ASP279C, CYS223A, GLN190A, GLU129C, GLU183A, GLU186A, GLY218A, GLY252A, HIS249A, HIS250A, LEU182A, LEU185A, LEU189A, LEU222A, LEU229C, LEU282C, LEU284C, LYS105C, LYS125C, LYS131C, LYS132C, LYS187A, LYS224A, LYS225A, LYS244A, LYS285C, MET281C, PHE216A, PHE86C, PRO217A, PRO286C, SER212A, SER214A, SER221A, THR248A, TRP126C, TYR103C, TYR128C, TYR215A, TYR226A, TYR251A, VAL130C, VAL219A, VAL253A, VAL280C, VAL283C
• A-D: ALA22D, ASN15D, ASN16D, ASN24D, ASP12D, ASP191A, ASP26D, CYS223A, GLN11D, GLN190A, GLU17D, GLU183A, GLU186A, GLY218A, GLY21D, HIS23D, LEU189A, LEU18D, LEU222A, LYS187A, LYS224A, LYS225A, MET14D, PRO192A, PRO27D, SER221A, THR19D, TYR20D, TYR226A, TYR25D
• C-D: ALA113C, ALA113D, ALA22C, ALA22D, ALA263C, ALA263D, ALA276C, ALA276D, ALA299C, ALA299D, ALA54C, ALA54D, ALA75C, ALA75D, ALA84C, ALA84D, ARG34C, ARG34D, ARG376C, ARG376D, ARG384C, ARG384D, ARG83C, ARG83D, ARG95C, ARG95D, ASN110C, ASN110D, ASN15C, ASN15D, ASN16C, ASN16D, ASN24C, ASN24D, ASN296C, ASN296D, ASN69C, ASN69D, ASN73C, ASN73D, ASN99C, ASN99D, ASP104C, ASP104D, ASP12C, ASP12D, ASP26C, ASP26D, ASP278C, ASP278D, ASP42C, ASP42D, ASP50C, ASP50D, ASP88C, ASP88D, CYS365C, CYS365D, CYS63C, CYS63D, CYS81C, CYS81D, CYS93C, CYS93D, GLN11D, GLN236C, GLN236D, GLN74C, GLN74D, GLU114C, GLU114D, GLU117C, GLU117D, GLU17C, GLU17D, GLU205C, GLU205D, GLU288C, GLU288D, GLU94C, GLU94D, GLY112C, GLY112D, GLY21C, GLY21D, GLY261C, GLY261D, GLY266C, GLY266D, GLY267C, GLY267D, GLY287C, GLY287D, GLY290C, GLY290D, GLY294C, GLY294D, GLY295C, GLY295D, GLY35C, GLY35D, GLY61C, GLY61D, GLY91C, GLY91D, HIS23C, HIS23D, HIS268C, HIS268D, HIS289C, HIS289D, HIS62C, HIS62D, HIS64C, HIS64D, ILE271C, ILE271D, ILE274C, ILE274D, ILE28C, ILE28D, ILE302C, ILE302D, ILE374C, ILE374D, ILE43C, ILE43D, ILE67C, ILE67D, ILE72C, ILE72D, ILE80C, ILE80D, LEU107C, LEU107D, LEU122C, LEU122D, LEU18C, LEU18D, LEU264C, LEU264D, LEU275C, LEU275D, LEU282C, LEU282D, LEU284C, LEU284D, LEU298C, LEU298D, LEU32C, LEU32D, LEU366C, LEU366D, LEU373C, LEU373D, LEU52C, LEU52D, LEU68C, LEU68D, LEU78C, LEU78D, LEU90C, LEU90D, LEU97C, LEU97D, LYS105C, LYS105D, LYS262C, LYS262D, LYS285C, LYS285D, LYS33C, LYS33D, LYS369C, LYS369D, LYS36C, LYS36D, LYS76C, LYS76D, LYS77C, LYS77D, LYS8C, LYS8D, MET108C, MET108D, MET109C, MET109D, MET14C, MET14D, MET281C, MET281D, MET71C, MET71D, PHE39C, PHE39D, PHE51C, PHE51D, PHE85C, PHE85D, PHE86C, PHE86D, PRO270C, PRO270D, PRO27C, PRO27D, PRO286C, PRO286D, PRO297C, PRO297D, PRO29C, PRO29D, PRO65C, PRO65D, SER10C, SER10D, SER265C, SER265D, SER272C, SER272D, SER291C, SER291D, SER377C, SER377D, SER53C, SER53D, SER56C, SER56D, SER57C, SER57D, SER82C, SER82D, SER87C, SER87D, SER89C, SER89D, THR111C, THR111D, THR118C, THR118D, THR19C, THR19D, THR292C, THR292D, THR375C, THR375D, THR79C, THR79D, THR98C, THR98D, TRP362C, TRP362D, TYR103C, TYR103D, TYR13C, TYR13D, TYR20C, TYR20D, TYR25C, TYR25D, TYR269C, TYR269D, TYR293C, TYR293D, TYR41C, TYR41D, TYR49C, TYR49D, TYR55C, TYR55D, TYR96C, TYR96D, VAL106C, VAL106D, VAL235C, VAL235D, VAL283C, VAL283D, VAL30C, VAL30D, VAL31C, VAL31D, VAL378C, VAL378D, VAL40C, VAL40D, VAL58C, VAL58D, VAL92C, VAL92D