3PK0

crystal structure of short-chain dehydrogenase/reductase sdr from mycobacterium smegmatis

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 138
  • Norm. En. per Res.: -3.953
• Hub Node: A(1)

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-C	-70.3596	0.0	-478.303	-548.6626	139	15	19	18188	0	4	11
B-D	-68.2623	0.0	-477.25	-545.5123	138	14	20	18148	0	4	11

Interface residues

• A-C: ALA101A, ALA101C, ALA113A, ALA113C, ALA159A, ALA159C, ALA162A, ALA162C, ALA163A, ALA163C, ALA171A, ALA171C, ALA172A, ALA172C, ALA176A, ALA176C, ALA69A, ALA69C, ALA98A, ALA98C, ARG169A, ARG169C, ARG68A, ARG68C, ASN109A, ASN109C, ASN117A, ASN117C, ASP128A, ASP128C, ASP67A, ASP67C, GLN107A, GLN107C, GLN124A, GLN124C, GLN164A, GLN164C, GLU106A, GLU106C, GLU174A, GLU174C, GLY110C, GLY118A, GLY118C, GLY146A, GLY146C, GLY150A, GLY150C, GLY153A, GLY153C, GLY158A, GLY158C, GLY166A, GLY166C, HIS156A, HIS156C, HIS178A, HIS178C, ILE111A, ILE111C, ILE131A, ILE131C, ILE144A, ILE144C, ILE148A, ILE148C, ILE173A, ILE173C, ILE180A, ILE180C, LEU100A, LEU100C, LEU108A, LEU108C, LEU127A, LEU127C, LEU140A, LEU140C, LEU165A, LEU165C, LEU175A, LEU175C, LYS161A, LYS161C, MET103A, MET103C, MET168A, MET168C, PHE112A, PHE112C, PHE120A, PHE120C, PHE167A, PHE167C, PRO105A, PRO105C, PRO147A, PRO147C, PRO152A, PRO152C, PRO177A, PRO177C, PRO99A, PRO99C, SER155A, SER155C, SER66A, SER66C, THR102A, THR102C, THR104A, THR104C, THR119A, THR119C, THR145A, THR145C, THR149A, THR149C, THR160A, THR160C, THR170A, THR170C, TRP154A, TRP154C, TYR121A, TYR121C, TYR151A, TYR151C, TYR157A, TYR157C, VAL116A, VAL116C, VAL123A, VAL123C, VAL138A, VAL138C, VAL182A, VAL182C
• B-D: ALA101B, ALA101D, ALA113B, ALA113D, ALA159B, ALA159D, ALA162B, ALA162D, ALA163B, ALA163D, ALA171B, ALA171D, ALA172B, ALA172D, ALA176B, ALA176D, ALA69B, ALA69D, ALA98B, ALA98D, ARG169B, ARG169D, ARG68B, ARG68D, ASN109B, ASN109D, ASN117B, ASN117D, ASP128B, ASP128D, ASP67B, ASP67D, GLN107B, GLN107D, GLN124B, GLN124D, GLN164B, GLN164D, GLU106B, GLU106D, GLU174B, GLU174D, GLY110D, GLY118B, GLY118D, GLY146B, GLY146D, GLY150B, GLY150D, GLY153B, GLY153D, GLY158B, GLY158D, GLY166B, GLY166D, HIS156B, HIS156D, HIS178B, HIS178D, ILE111B, ILE111D, ILE131B, ILE131D, ILE144B, ILE144D, ILE148B, ILE148D, ILE173B, ILE173D, ILE180B, ILE180D, LEU100B, LEU100D, LEU108B, LEU108D, LEU127B, LEU127D, LEU140D, LEU165B, LEU165D, LEU175B, LEU175D, LYS161B, LYS161D, MET103B, MET103D, MET168B, MET168D, PHE112B, PHE112D, PHE120B, PHE120D, PHE167B, PHE167D, PRO105B, PRO105D, PRO147B, PRO147D, PRO152B, PRO152D, PRO177B, PRO177D, PRO99B, PRO99D, SER155B, SER155D, SER66B, SER66D, THR102B, THR102D, THR104B, THR104D, THR119B, THR119D, THR145B, THR145D, THR149B, THR149D, THR160B, THR160D, THR170B, THR170D, TRP154B, TRP154D, TYR121B, TYR121D, TYR151B, TYR151D, TYR157B, TYR157D, VAL116B, VAL116D, VAL123B, VAL123D, VAL138B, VAL138D, VAL182B, VAL182D