2ZTU

t190a mutant of d-3-hydroxybutyrate dehydrogenase complexed with nad+

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 144
  • Norm. En. per Res.: -4.0601
• 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	-28.1541	0.0	-307.576	-335.7301	132	8	9	13011	0	4	4
A-C	-74.5644	3.6443	-513.741	-584.6611	144	14	23	19539	4	35	31
A-D	-16.4263	-2.5136	-46.1243	-65.0641	32	1	4	1859	0	6	13
B-C	-15.6734	-0.7129	-43.2486	-59.635	32	2	3	1847	0	6	13
B-D	-67.8514	9.377	-485.737	-544.2114	142	24	24	19175	4	35	30
C-D	-35.8452	3.5114	-321.384	-353.7177	132	10	9	13159	0	4	5

Interface residues

• A-B: ALA170A, ALA170B, ALA174A, ALA174B, ALA180A, ALA180B, ALA235A, ALA235B, ALA242A, ALA242B, ALA243A, ALA243B, ALA244A, ALA244B, ALA259A, ALA259B, ARG136A, ARG136B, ARG260A, ARG260B, ASN181A, ASN181B, ASP241A, ASP241B, ASP254A, ASP254B, CYS184A, CYS184B, GLN176A, GLN176B, GLN220A, GLN220B, GLN224A, GLN224B, GLN230A, GLN230B, GLN245A, GLN245B, GLU172A, GLU172B, GLU229A, GLU229B, GLY164A, GLY164B, GLY175A, GLY175B, GLY177A, GLY177B, GLY186A, GLY186B, GLY232A, GLY232B, GLY233A, GLY233B, GLY248A, GLY248B, GLY255A, GLY255B, GLY256A, GLY256B, ILE178A, ILE178B, ILE183A, ILE183B, ILE246A, ILE246B, LEU146A, LEU146B, LEU171A, LEU171B, LEU216A, LEU216B, LEU223A, LEU223B, LEU231A, LEU231B, LEU238A, LEU238B, LYS167A, LYS167B, PHE225A, PHE225B, PHE237A, PHE237B, PRO185A, PRO185B, PRO221A, PRO221B, SER222A, SER222B, SER240A, SER240B, SER252A, SER252B, THR166A, THR166B, THR169A, THR169B, THR173A, THR173B, THR179A, THR179B, THR227A, THR227B, THR234A, THR234B, THR247A, THR247B, THR249A, THR249B, THR250A, THR250B, THR258A, THR258B, TRP187A, TRP187B, TRP257A, TRP257B, VAL163A, VAL163B, VAL168A, VAL168B, VAL188A, VAL188B, VAL226A, VAL226B, VAL236A, VAL236B, VAL251A, VAL251B, VAL253A, VAL253B
• A-C: ALA112A, ALA112C, ALA117A, ALA117C, ALA123A, ALA123C, ALA124A, ALA124C, ALA125A, ALA125C, ALA143A, ALA148A, ALA148C, ALA150A, ALA150C, ALA154A, ALA154C, ALA157A, ALA157C, ALA158A, ALA158C, ALA170A, ALA170C, ALA174A, ALA174C, ALA180A, ALA180C, ALA97A, ALA97C, ARG71A, ARG71C, ASN114C, ASN151A, ASN151C, ASP101A, ASP101C, ASP108A, ASP108C, GLN176A, GLN176C, GLU100A, GLU100C, GLU105A, GLU105C, GLU172A, GLU172C, GLU68A, GLU68C, GLY121A, GLY121C, GLY145A, GLY145C, GLY161A, GLY161C, GLY164A, GLY164C, GLY248A, GLY248C, GLY67A, GLY67C, HIS120A, HIS120C, HIS128A, HIS128C, HIS144A, HIS144C, HIS160A, HIS160C, ILE137A, ILE137C, ILE99A, ILE99C, LEU111A, LEU111C, LEU115A, LEU115C, LEU126A, LEU126C, LEU146A, LEU146C, LEU171A, LEU171C, LEU98A, LEU98C, LYS106A, LYS106C, LYS130A, LYS130C, LYS131C, LYS152A, LYS152C, LYS159A, LYS159C, LYS167A, LYS167C, LYS219A, LYS219C, MET129C, PHE102A, PHE102C, PHE119A, PHE119C, PHE165A, PHE165C, PRO103A, PRO103C, PRO127A, PRO127C, SER116A, SER116C, SER149A, SER149C, SER153A, SER153C, THR104A, THR104C, THR122A, THR122C, THR166A, THR166C, THR169A, THR169C, THR173A, THR173C, THR250A, THR250C, THR96A, THR96C, TRP107A, TRP107C, TYR155A, TYR155C, VAL118A, VAL118C, VAL147A, VAL147C, VAL156A, VAL156C, VAL162A, VAL162C, VAL163A, VAL163C, VAL168A, VAL168C
• A-D: ALA143A, ALA143D, ALA148A, ALA148D, ALA150A, ALA150D, ALA259A, ALA259D, ARG260A, ARG260D, GLU218A, GLU218D, HIS144A, HIS144D, HIS160A, HIS160D, LEU146A, LEU146D, LYS219A, LYS219D, PRO221A, PRO221D, SER149A, SER149D, THR258A, THR258D, TRP257A, TRP257D, VAL147A, VAL147D, VAL156A, VAL156D
• B-C: ALA143C, ALA148B, ALA148C, ALA150B, ALA150C, ALA259B, ALA259C, ARG260B, ARG260C, GLU218B, GLU218C, HIS144B, HIS144C, HIS160B, HIS160C, LEU146B, LEU146C, LYS219B, LYS219C, PRO221B, PRO221C, SER149B, SER149C, SER217C, THR258B, THR258C, TRP257B, TRP257C, VAL147B, VAL147C, VAL156B, VAL156C
• B-D: ALA112B, ALA112D, ALA117B, ALA117D, ALA123B, ALA123D, ALA124B, ALA124D, ALA125B, ALA125D, ALA143B, ALA143D, ALA148B, ALA148D, ALA150B, ALA150D, ALA154B, ALA154D, ALA157B, ALA157D, ALA158B, ALA158D, ALA170B, ALA170D, ALA174B, ALA174D, ALA180B, ALA180D, ALA97B, ALA97D, ARG71B, ARG71D, ASN151B, ASN151D, ASP101B, ASP101D, ASP108B, ASP108D, GLN176B, GLN176D, GLU100B, GLU100D, GLU105B, GLU105D, GLU172B, GLU172D, GLU68B, GLU68D, GLY121B, GLY121D, GLY145B, GLY145D, GLY161B, GLY161D, GLY164B, GLY164D, GLY248B, GLY248D, GLY67B, GLY67D, HIS120B, HIS120D, HIS128B, HIS128D, HIS144B, HIS144D, HIS160B, HIS160D, HIS95D, ILE137B, ILE137D, ILE99B, ILE99D, LEU111B, LEU111D, LEU115B, LEU115D, LEU126B, LEU126D, LEU146B, LEU146D, LEU171B, LEU171D, LEU98B, LEU98D, LYS106B, LYS106D, LYS130B, LYS130D, LYS152B, LYS152D, LYS159B, LYS159D, LYS167B, LYS167D, LYS219B, LYS219D, PHE102B, PHE102D, PHE119B, PHE119D, PHE165B, PHE165D, PRO103B, PRO103D, PRO127B, PRO127D, SER116B, SER116D, SER149B, SER149D, SER153B, SER153D, THR104B, THR104D, THR122B, THR122D, THR166B, THR166D, THR169B, THR169D, THR173B, THR173D, THR250B, THR250D, THR258D, TRP107B, TRP107D, TYR155B, TYR155D, VAL118B, VAL118D, VAL147B, VAL147D, VAL156B, VAL156D, VAL162B, VAL162D, VAL163B, VAL163D, VAL168B, VAL168D
• C-D: ALA170C, ALA170D, ALA174C, ALA174D, ALA180C, ALA180D, ALA235C, ALA235D, ALA242C, ALA242D, ALA243C, ALA243D, ALA244C, ALA244D, ALA259C, ALA259D, ARG136C, ARG136D, ARG260C, ARG260D, ASN181C, ASN181D, ASP241C, ASP241D, ASP254C, ASP254D, CYS184C, CYS184D, GLN176C, GLN176D, GLN220C, GLN220D, GLN224C, GLN224D, GLN230C, GLN230D, GLN245C, GLN245D, GLU172C, GLU172D, GLU229C, GLU229D, GLY164C, GLY164D, GLY175C, GLY175D, GLY177C, GLY177D, GLY186C, GLY186D, GLY232C, GLY232D, GLY233C, GLY233D, GLY248C, GLY248D, GLY255C, GLY255D, GLY256C, GLY256D, ILE178C, ILE178D, ILE183C, ILE183D, ILE246C, ILE246D, LEU146C, LEU146D, LEU171C, LEU171D, LEU216C, LEU216D, LEU223C, LEU223D, LEU231C, LEU231D, LEU238C, LEU238D, LYS167C, LYS167D, PHE225C, PHE225D, PHE237C, PHE237D, PRO185C, PRO185D, PRO221C, PRO221D, SER222C, SER222D, SER240C, SER240D, SER252C, SER252D, THR166C, THR166D, THR169C, THR169D, THR173C, THR173D, THR179C, THR179D, THR227C, THR227D, THR234C, THR234D, THR247C, THR247D, THR249C, THR249D, THR250C, THR250D, THR258C, THR258D, TRP187C, TRP187D, TRP257C, TRP257D, VAL163C, VAL163D, VAL168C, VAL168D, VAL188C, VAL188D, VAL226C, VAL226D, VAL236C, VAL236D, VAL251C, VAL251D, VAL253C, VAL253D