3OKS

crystal structure of 4-aminobutyrate transaminase from mycobacterium smegmatis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 380
  • Norm. En. per Res.: -5.3178
• 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	-384.9613	-97.7797	-1538.02	-2020.7609	380	41	41	57968	9	58	72
A-D	0.0	0.0	-1.7028	-1.7028	13	0	0	342	0	3	1
B-C	0.0	-2.7704	-0.356	-3.1264	14	0	0	99	0	14	14
B-D	0.0	0.0	-0.0039	-0.0039	2	0	0	2	0	1	2
C-D	-398.9884	-91.0535	-1512.95	-2002.9919	388	49	41	57921	8	58	72

Interface residues

• A-B: ALA104A, ALA104B, ALA122A, ALA122B, ALA130A, ALA130B, ALA138A, ALA138B, ALA146A, ALA146B, ALA163A, ALA163B, ALA179A, ALA179B, ALA225A, ALA225B, ALA22A, ALA22B, ALA291A, ALA291B, ALA295A, ALA295B, ALA302A, ALA302B, ALA307A, ALA307B, ALA30A, ALA30B, ALA328A, ALA328B, ALA32A, ALA32B, ALA331A, ALA331B, ALA43A, ALA43B, ALA46A, ALA46B, ALA67A, ALA67B, ALA75A, ALA75B, ALA81A, ALA81B, ARG111A, ARG120A, ARG120B, ARG139A, ARG139B, ARG157A, ARG157B, ARG19A, ARG19B, ARG26A, ARG26B, ARG306B, ARG33A, ARG33B, ARG421A, ARG421B, ARG45A, ARG45B, ARG83A, ARG83B, ASN110A, ASN110B, ASN125A, ASN125B, ASN133A, ASN133B, ASN159A, ASN159B, ASN325A, ASN325B, ASN73A, ASN73B, ASP118A, ASP118B, ASP173A, ASP173B, ASP25A, ASP25B, ASP311A, ASP311B, ASP53A, ASP53B, ASP61A, ASP61B, ASP88A, ASP88B, CYS106A, CYS106B, CYS93A, CYS93B, GLN108A, GLN108B, GLN266A, GLN266B, GLN85A, GLN85B, GLU100A, GLU100B, GLU107A, GLU107B, GLU129A, GLU129B, GLU132A, GLU132B, GLU181A, GLU181B, GLU235A, GLU235B, GLU308A, GLU52A, GLU52B, GLU80A, GLU80B, GLY101A, GLY101B, GLY127A, GLY127B, GLY156A, GLY156B, GLY174A, GLY174B, GLY176A, GLY176B, GLY28A, GLY28B, GLY293A, GLY293B, GLY296A, GLY296B, GLY297A, GLY297B, GLY305A, GLY305B, GLY317A, GLY317B, GLY319A, GLY319B, GLY320A, GLY320B, GLY323A, GLY323B, GLY324A, GLY324B, GLY34A, GLY34B, GLY36A, GLY36B, GLY47A, GLY47B, GLY63A, GLY63B, GLY65A, GLY65B, GLY72A, GLY72B, GLY87A, GLY87B, HIS141A, HIS141B, HIS143A, HIS143B, HIS314A, HIS314B, HIS404A, HIS404B, HIS4A, HIS4B, HIS91A, HIS91B, ILE137A, ILE137B, ILE182A, ILE182B, ILE24A, ILE24B, ILE294A, ILE294B, ILE309A, ILE309B, ILE327A, ILE327B, ILE409A, ILE409B, ILE50A, ILE50B, ILE66A, ILE66B, LEU109A, LEU109B, LEU123A, LEU123B, LEU160A, LEU160B, LEU23A, LEU23B, LEU298A, LEU298B, LEU300A, LEU300B, LEU318A, LEU318B, LEU333A, LEU333B, LEU411A, LEU411B, LEU423A, LEU423B, LEU59A, LEU59B, LEU62A, LEU62B, LYS119A, LYS119B, LYS136A, LYS136B, LYS144A, LYS144B, LYS172A, LYS172B, LYS27A, LYS27B, MET162A, MET162B, MET169A, MET169B, MET310A, MET310B, MET39A, MET39B, MET95A, MET95B, PHE124A, PHE124B, PHE175A, PHE175B, PHE178A, PHE178B, PHE89A, PHE89B, PHE94A, PHE94B, PRO145A, PRO145B, PRO170A, PRO170B, PRO177A, PRO177B, PRO180A, PRO180B, PRO299A, PRO299B, PRO313A, PRO313B, PRO326A, PRO326B, PRO40A, PRO40B, PRO5A, PRO5B, PRO76A, PRO76B, PRO98A, PRO98B, SER121A, SER121B, SER126A, SER126B, SER128A, SER128B, SER140A, SER140B, SER20A, SER20B, SER301A, SER301B, SER312A, SER312B, SER316A, SER316B, SER3A, SER3B, SER412A, SER412B, SER64A, SER64B, SER74A, SER74B, SER84A, SER84B, THR142A, THR142B, THR158A, THR158B, THR161A, THR161B, THR290A, THR290B, THR29A, THR29B, THR304A, THR304B, THR321A, THR321B, THR37A, THR37B, THR38A, THR38B, THR69A, THR69B, THR70A, THR70B, THR90A, THR90B, THR92A, THR92B, THR97A, THR97B, TYR102A, TYR102B, TYR154A, TYR154B, TYR171A, TYR171B, TYR183A, TYR183B, TYR322A, TYR322B, TYR42A, TYR42B, TYR99A, TYR99B, VAL103A, VAL103B, VAL105A, VAL105B, VAL135A, VAL135B, VAL147A, VAL147B, VAL168A, VAL168B, VAL265A, VAL265B, VAL2B, VAL303A, VAL303B, VAL315A, VAL315B, VAL31A, VAL31B, VAL35A, VAL35B, VAL410A, VAL410B, VAL41A, VAL41B, VAL44A, VAL44B, VAL51A, VAL51B, VAL54A, VAL54B, VAL68A, VAL68B, VAL71A, VAL71B, VAL78A, VAL78B, VAL79A, VAL79B, VAL82A, VAL82B, VAL86A, VAL86B, VAL96A, VAL96B
• A-D: ALA12A, ALA14D, ALA22A, ARG19A, ASP25D, GLN21D, GLY17D, ILE24D, PRO16D, PRO18A, PRO18D, PRO40D, THR13A
• B-C: ALA346B, ARG111B, ASP118C, ASP222C, ASP257C, GLN350B, GLU308C, GLU340B, GLY343B, HIS141C, HIS143C, LYS77B, SER341B, THR142C
• B-D: ARG33D, GLU337B
• C-D: ALA104C, ALA104D, ALA122C, ALA122D, ALA130C, ALA130D, ALA138C, ALA138D, ALA146C, ALA146D, ALA163C, ALA163D, ALA179C, ALA179D, ALA225C, ALA225D, ALA22C, ALA22D, ALA291C, ALA291D, ALA295C, ALA295D, ALA302C, ALA302D, ALA307C, ALA307D, ALA30C, ALA30D, ALA328C, ALA328D, ALA32C, ALA32D, ALA331C, ALA331D, ALA332C, ALA332D, ALA43C, ALA43D, ALA46C, ALA46D, ALA67C, ALA67D, ALA75C, ALA75D, ALA81C, ALA81D, ARG111C, ARG111D, ARG120C, ARG120D, ARG139C, ARG139D, ARG157C, ARG157D, ARG19C, ARG19D, ARG26C, ARG26D, ARG33C, ARG33D, ARG421C, ARG421D, ARG45C, ARG45D, ARG83C, ARG83D, ASN110C, ASN110D, ASN125C, ASN125D, ASN133C, ASN133D, ASN159C, ASN159D, ASN325C, ASN325D, ASN73C, ASN73D, ASP118C, ASP118D, ASP173C, ASP173D, ASP25C, ASP25D, ASP311C, ASP311D, ASP53C, ASP53D, ASP61C, ASP61D, ASP88C, ASP88D, CYS106C, CYS106D, CYS93C, CYS93D, GLN108C, GLN108D, GLN266C, GLN266D, GLN85C, GLN85D, GLU100C, GLU100D, GLU107C, GLU107D, GLU129C, GLU129D, GLU132C, GLU132D, GLU181C, GLU181D, GLU235C, GLU235D, GLU52C, GLU52D, GLU80C, GLU80D, GLY101C, GLY101D, GLY127C, GLY127D, GLY156C, GLY156D, GLY174C, GLY174D, GLY176C, GLY176D, GLY28C, GLY28D, GLY293C, GLY293D, GLY296C, GLY296D, GLY297C, GLY297D, GLY305C, GLY305D, GLY317C, GLY317D, GLY319C, GLY319D, GLY320C, GLY320D, GLY323C, GLY323D, GLY324C, GLY324D, GLY34C, GLY34D, GLY36C, GLY36D, GLY47C, GLY47D, GLY63C, GLY63D, GLY65C, GLY65D, GLY72C, GLY72D, GLY87C, GLY87D, HIS141C, HIS141D, HIS143C, HIS143D, HIS314C, HIS314D, HIS404C, HIS404D, HIS4C, HIS4D, HIS91C, HIS91D, ILE137C, ILE137D, ILE182C, ILE182D, ILE24C, ILE24D, ILE294C, ILE294D, ILE309C, ILE309D, ILE327C, ILE327D, ILE409C, ILE409D, ILE50C, ILE50D, ILE66C, ILE66D, LEU109C, LEU109D, LEU123C, LEU123D, LEU160C, LEU160D, LEU23C, LEU23D, LEU298C, LEU298D, LEU300C, LEU300D, LEU318C, LEU318D, LEU333C, LEU333D, LEU411C, LEU411D, LEU423C, LEU423D, LEU59C, LEU59D, LEU62C, LEU62D, LYS119C, LYS119D, LYS136C, LYS136D, LYS144C, LYS144D, LYS172C, LYS172D, LYS27C, LYS27D, MET162C, MET162D, MET169C, MET169D, MET1C, MET1D, MET310C, MET310D, MET39C, MET39D, MET95C, MET95D, PHE124C, PHE124D, PHE175C, PHE175D, PHE178C, PHE178D, PHE89C, PHE89D, PHE94C, PHE94D, PRO145C, PRO145D, PRO170C, PRO170D, PRO177C, PRO177D, PRO180C, PRO180D, PRO299C, PRO299D, PRO313C, PRO313D, PRO326C, PRO326D, PRO40C, PRO40D, PRO5C, PRO5D, PRO76C, PRO76D, PRO98C, PRO98D, SER0C, SER0D, SER121C, SER121D, SER126C, SER126D, SER128C, SER128D, SER140C, SER140D, SER20C, SER20D, SER301C, SER301D, SER312C, SER312D, SER316C, SER316D, SER3C, SER3D, SER412C, SER412D, SER64C, SER64D, SER74C, SER74D, SER84C, SER84D, THR142C, THR142D, THR158C, THR158D, THR161C, THR161D, THR290C, THR290D, THR29C, THR29D, THR304C, THR304D, THR321C, THR321D, THR335C, THR335D, THR37C, THR37D, THR38C, THR38D, THR69C, THR69D, THR70C, THR70D, THR90C, THR90D, THR92C, THR92D, THR97C, THR97D, TYR102C, TYR102D, TYR154C, TYR154D, TYR171C, TYR171D, TYR183C, TYR183D, TYR322C, TYR322D, TYR42C, TYR42D, TYR99C, TYR99D, VAL103C, VAL103D, VAL105C, VAL105D, VAL135C, VAL135D, VAL147C, VAL147D, VAL168C, VAL168D, VAL265C, VAL265D, VAL2C, VAL2D, VAL303C, VAL303D, VAL315C, VAL315D, VAL31C, VAL31D, VAL35C, VAL35D, VAL410C, VAL410D, VAL41C, VAL41D, VAL44C, VAL44D, VAL51C, VAL51D, VAL54C, VAL54D, VAL68C, VAL68D, VAL71C, VAL71D, VAL78C, VAL78D, VAL79C, VAL79D, VAL82C, VAL82D, VAL86C, VAL86D, VAL96C, VAL96D