3PPI

crystal structure of 3-hydroxyacyl-coa dehydrogenase type-2 from mycobacterium avium

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 173
  • Norm. En. per Res.: -4.0169
• 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	0.0	-1.4966	-10.6444	-12.141	33	0	0	1252	0	6	10
A-C	-64.8843	-25.2601	-559.448	-649.5924	171	13	38	21977	0	14	24
A-D	-62.4796	18.4922	-515.991	-559.9784	154	10	11	18161	0	33	35
B-C	-77.72	18.6009	-525.534	-584.6531	153	12	11	18249	0	34	35
B-D	-84.0765	-50.9579	-559.884	-694.9185	173	17	38	22359	0	14	22
C-D	0.0	-1.4843	-11.1425	-12.6268	34	0	0	1280	0	6	10

Interface residues

• A-B: ALA216A, ALA216B, ALA253A, ALA253B, ARG249A, ARG249B, ARG255A, ARG255B, ARG97B, ASN217A, ASN217B, GLN254A, GLN254B, GLU157A, GLU157B, GLY158A, GLY158B, ILE160A, ILE160B, ILE218A, ILE218B, LYS222A, LYS222B, PHE256A, PHE256B, PRO219A, PRO219B, PRO258A, PRO258B, THR257A, THR257B, TYR156A, TYR156B
• A-C: ALA106A, ALA106C, ALA126A, ALA126C, ALA130A, ALA130C, ALA131A, ALA131C, ALA134A, ALA134C, ALA135A, ALA135C, ALA154A, ALA154C, ALA164A, ALA164C, ALA166A, ALA166C, ALA167A, ALA167C, ALA168A, ALA168C, ALA170A, ALA170C, ALA178A, ALA178C, ALA179A, ALA179C, ALA180A, ALA180C, ALA186A, ALA186C, ALA95C, ARG101C, ARG127A, ARG127C, ARG181A, ARG181C, ARG255A, ARG255C, ARG97A, ARG97C, ASN120A, ASN120C, ASN124A, ASN124C, ASN217A, ASN217C, ASP107A, ASP107C, ASP116A, ASP116C, ASP182A, ASP182C, GLN100A, GLN100C, GLN159A, GLN159C, GLN162A, GLN162C, GLN96A, GLN96C, GLU157A, GLU157C, GLU66A, GLU66C, GLY103A, GLY103C, GLY109A, GLY109C, GLY110A, GLY110C, GLY121A, GLY121C, GLY155A, GLY155C, GLY158A, GLY158C, GLY161A, GLY161C, GLY171A, GLY171C, GLY174A, GLY174C, ILE115A, ILE115C, ILE133A, ILE133C, ILE153A, ILE153C, ILE160A, ILE160C, ILE173A, ILE173C, ILE177A, ILE177C, ILE188A, ILE188C, ILE73A, ILE98A, ILE98C, LEU119A, LEU119C, LEU128A, LEU128C, LEU147A, LEU147C, LEU149A, LEU175A, LEU175C, LEU183A, LEU183C, LEU70A, LEU70C, LYS113A, LYS113C, LYS169A, LYS169C, LYS259A, LYS259C, MET108A, MET108C, PHE111A, PHE111C, PHE256A, PHE256C, PRO105A, PRO105C, PRO258A, PRO258C, SER104A, SER104C, SER132A, SER132C, SER184A, SER184C, SER185A, SER185C, SER65A, SER65C, THR112A, THR112C, THR122A, THR122C, THR163A, THR163C, THR176A, THR176C, THR257A, THR257C, THR64A, THR64C, TYR123A, TYR123C, TYR156A, TYR156C, TYR165A, TYR165C, VAL125A, VAL125C, VAL129A, VAL129C, VAL172A, VAL172C, VAL190A, VAL190C, VAL63A, VAL63C, VAL94A, VAL99A, VAL99C
• A-D: ALA146A, ALA146D, ALA178A, ALA178D, ALA180A, ALA180D, ALA186A, ALA186D, ALA194A, ALA194D, ALA215A, ALA215D, ALA231A, ALA231D, ALA233A, ALA233D, ALA234A, ALA234D, ALA235A, ALA235D, ALA253A, ALA253D, ARG139A, ARG139D, ARG144A, ARG144D, ARG181A, ARG181D, ARG189A, ARG189D, ARG223A, ARG223D, ARG249A, ARG249D, ARG255A, ARG255D, ARG27A, ARG27D, ASN141A, ASN141D, ASN191A, ASN191D, ASN217A, ASN217D, ASN240A, ASN240D, ASN244A, ASN244D, ASP182A, ASP182D, ASP228A, ASP228D, ASP232A, ASP232D, ASP251A, ASP251D, GLN254A, GLN254D, GLN5A, GLN5D, GLU143A, GLU143D, GLU157A, GLU157D, GLU229A, GLU229D, GLU246A, GLU246D, GLY142A, GLY142D, GLY145A, GLY145D, GLY187A, GLY187D, GLY196A, GLY196D, GLY225A, GLY225D, GLY241A, GLY241D, GLY245A, GLY245D, GLY252A, GLY252D, ILE153A, ILE153D, ILE177A, ILE177D, ILE188A, ILE188D, ILE193A, ILE193D, ILE218A, ILE218D, ILE243A, ILE243D, LEU183A, LEU183D, LEU224A, LEU224D, LEU237A, LEU237D, LEU250A, LEU250D, LYS199A, LYS199D, LYS222A, LYS222D, MET198A, MET198D, MET248A, MET248D, PHE214A, PHE214D, PHE220A, PHE220D, PHE230A, PHE230D, PHE236A, PHE236D, PHE256A, PHE256D, PRO138A, PRO138D, PRO195A, PRO195D, PRO219A, PRO219D, PRO221A, PRO221D, SER184A, SER184D, SER185A, SER185D, THR176A, THR176D, THR192A, THR192D, THR197A, THR197D, THR226A, THR226D, THR239A, THR239D, THR257A, THR257D, TYR156A, TYR156D, TYR242A, TYR242D, VAL190A, VAL190D, VAL247A, VAL247D
• B-C: ALA146B, ALA146C, ALA178B, ALA178C, ALA180B, ALA180C, ALA186B, ALA186C, ALA194B, ALA194C, ALA215B, ALA215C, ALA231B, ALA231C, ALA233B, ALA233C, ALA234B, ALA234C, ALA235B, ALA235C, ALA253B, ALA253C, ARG139B, ARG139C, ARG144B, ARG144C, ARG181B, ARG181C, ARG189B, ARG189C, ARG223B, ARG223C, ARG249B, ARG249C, ARG255B, ARG255C, ARG27B, ARG27C, ASN141B, ASN141C, ASN191B, ASN191C, ASN217B, ASN217C, ASN240B, ASN240C, ASN244B, ASN244C, ASP182B, ASP182C, ASP228B, ASP228C, ASP232B, ASP232C, ASP251B, ASP251C, GLN254B, GLN254C, GLN5B, GLN5C, GLU143B, GLU143C, GLU157B, GLU157C, GLU229B, GLU229C, GLU246B, GLU246C, GLY142B, GLY142C, GLY145B, GLY145C, GLY187B, GLY187C, GLY196B, GLY196C, GLY225B, GLY225C, GLY241B, GLY241C, GLY245B, GLY245C, GLY252B, GLY252C, ILE153B, ILE153C, ILE173C, ILE177B, ILE177C, ILE188B, ILE188C, ILE193B, ILE193C, ILE218B, ILE218C, ILE243B, ILE243C, LEU183B, LEU183C, LEU224B, LEU224C, LEU237B, LEU237C, LEU250B, LEU250C, LYS199B, LYS199C, LYS222B, LYS222C, MET198B, MET198C, MET248B, MET248C, PHE214B, PHE214C, PHE220B, PHE220C, PHE230B, PHE230C, PHE236B, PHE236C, PHE256B, PHE256C, PRO138B, PRO138C, PRO195B, PRO195C, PRO219B, PRO219C, PRO221B, PRO221C, SER184B, SER184C, SER185B, SER185C, THR176B, THR176C, THR197B, THR197C, THR226B, THR226C, THR239B, THR239C, THR257B, THR257C, TYR156B, TYR156C, TYR242B, TYR242C, VAL190B, VAL190C, VAL247B, VAL247C
• B-D: ALA106B, ALA106D, ALA126B, ALA126D, ALA130B, ALA130D, ALA131B, ALA131D, ALA134B, ALA134D, ALA135B, ALA135D, ALA154B, ALA154D, ALA164B, ALA164D, ALA166B, ALA166D, ALA167B, ALA167D, ALA168B, ALA168D, ALA170B, ALA170D, ALA178B, ALA178D, ALA179B, ALA179D, ALA180B, ALA180D, ALA186B, ALA186D, ALA95B, ARG101B, ARG127B, ARG127D, ARG181B, ARG181D, ARG255B, ARG255D, ARG97B, ARG97D, ASN120B, ASN120D, ASN124B, ASN124D, ASN217B, ASN217D, ASP107B, ASP107D, ASP116B, ASP116D, ASP182B, ASP182D, GLN100B, GLN100D, GLN159B, GLN159D, GLN162B, GLN162D, GLN96B, GLN96D, GLU157B, GLU157D, GLU66B, GLU66D, GLY103B, GLY103D, GLY109B, GLY109D, GLY110B, GLY110D, GLY121B, GLY121D, GLY155B, GLY155D, GLY158B, GLY158D, GLY161B, GLY161D, GLY171B, GLY171D, GLY174B, GLY174D, GLY187D, ILE115B, ILE115D, ILE133B, ILE133D, ILE153B, ILE153D, ILE160B, ILE160D, ILE173B, ILE173D, ILE177B, ILE177D, ILE188B, ILE188D, ILE73B, ILE73D, ILE98B, ILE98D, LEU119B, LEU119D, LEU128B, LEU128D, LEU147B, LEU147D, LEU149D, LEU175B, LEU175D, LEU183B, LEU183D, LEU70B, LEU70D, LYS113B, LYS113D, LYS169B, LYS169D, LYS259B, LYS259D, MET108B, MET108D, PHE111B, PHE111D, PHE256B, PHE256D, PRO105B, PRO105D, PRO258B, PRO258D, SER104B, SER104D, SER132B, SER132D, SER184B, SER184D, SER185B, SER185D, SER65B, SER65D, THR112B, THR112D, THR122B, THR122D, THR163B, THR163D, THR176B, THR176D, THR257B, THR257D, THR64B, THR64D, TYR123B, TYR123D, TYR156B, TYR156D, TYR165B, TYR165D, VAL125B, VAL125D, VAL129B, VAL129D, VAL172B, VAL172D, VAL190B, VAL190D, VAL63B, VAL63D, VAL94D, VAL99B, VAL99D
• C-D: ALA216C, ALA216D, ALA253C, ALA253D, ARG249C, ARG249D, ARG255C, ARG255D, ARG97D, ASN217C, ASN217D, GLN254C, GLN254D, GLU157C, GLU157D, GLY158C, GLY158D, ILE160C, ILE160D, ILE218C, ILE218D, LYS222C, LYS222D, LYS259D, PHE256C, PHE256D, PRO219C, PRO219D, PRO258C, PRO258D, THR257C, THR257D, TYR156C, TYR156D