1XKQ

crystal structure of short-chain dehydrogenase/reductase of unknown function from caenorhabditis elegans with cofactor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 73
  • Norm. En. per Res.: -4.4033
• 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	-37.3644	5.5688	-422.422	-454.2176	153	11	17	17474	0	16	22
A-C	-84.6848	-9.1975	-430.411	-524.2933	144	21	18	18247	4	28	24
A-D	-63.807	7.1301	-244.874	-301.5509	81	15	4	9360	2	12	14
B-C	-65.9095	-26.6668	-228.868	-321.4443	73	18	5	9063	2	14	14
B-D	-68.796	-0.5209	-443.746	-513.0629	147	17	18	18445	4	28	24
C-D	-40.8106	3.3461	-411.593	-449.0575	152	15	20	17353	0	17	21

Interface residues

• A-B: ALA177A, ALA177B, ALA181A, ALA181B, ALA218A, ALA218B, ALA228A, ALA228B, ALA229A, ALA229B, ALA236A, ALA236B, ALA258A, ALA258B, ARG174A, ARG174B, ARG186A, ARG186B, ARG245A, ARG245B, ARG3A, ARG3B, ASN188A, ASN188B, ASN237A, ASN237B, ASN246A, ASN246B, ASP170A, ASP170B, ASP179A, ASP179B, ASP244A, ASP244B, ASP259A, ASP259B, CYS223A, CYS223B, GLN171A, GLN171B, GLN254A, GLN254B, GLN269A, GLN269B, GLU142B, GLU196A, GLU196B, GLU222A, GLU222B, GLU233A, GLU233B, GLY184A, GLY184B, GLY193A, GLY193B, GLY227A, GLY227B, GLY230A, GLY230B, GLY253A, GLY253B, GLY260A, GLY260B, GLY261A, GLY261B, HIS234A, HIS234B, ILE149A, ILE149B, ILE178A, ILE178B, ILE185A, ILE185B, ILE18A, ILE18B, ILE224A, ILE224B, ILE226A, ILE226B, ILE235A, ILE235B, ILE238A, ILE238B, ILE239A, ILE239B, ILE251A, ILE251B, ILE256A, ILE256B, LEU180A, LEU180B, LEU240A, LEU240B, LEU242A, LEU242B, LEU247A, LEU247B, LEU252A, LEU252B, LEU25A, LEU25B, LEU264A, LEU264B, LYS182A, LYS182B, LYS221A, LYS221B, LYS231A, LYS231B, MET194A, MET194B, MET217A, MET217B, MET266A, MET266B, PHE183A, PHE183B, PHE241A, PHE241B, PHE249A, PHE249B, PRO192A, PRO192B, PRO225A, PRO225B, SER175A, SER175B, SER189A, SER191A, SER191B, SER248A, SER248B, SER255A, SER255B, SER263A, SER263B, THR173A, THR173B, THR176B, THR262A, THR262B, TYR250A, TYR250B, VAL187A, VAL187B, VAL190A, VAL190B, VAL195A, VAL195B, VAL257A, VAL257B, VAL265A, VAL265B
• A-C: ALA124A, ALA124C, ALA151A, ALA151C, ALA155A, ALA155C, ALA163A, ALA163C, ALA165A, ALA165C, ALA167A, ALA167C, ALA168A, ALA168C, ALA177A, ALA177C, ALA181A, ALA181C, ARG174A, ARG174C, ASN121A, ASN121C, ASP100A, ASP108A, ASP108C, ASP112A, ASP112C, ASP158A, ASP158C, ASP170A, ASP170C, ASP179A, ASP179C, GLN109A, GLN109C, GLN123A, GLN123C, GLN154A, GLN154C, GLN156A, GLN156C, GLN171A, GLN171C, GLN254A, GLN254C, GLN73A, GLN73C, GLU127A, GLU127C, GLU70A, GLU70C, GLY106A, GLY106C, GLY110A, GLY110C, GLY152A, GLY152C, GLY253A, GLY253C, HIS115A, HIS115C, ILE111A, ILE111C, ILE113A, ILE113C, ILE126A, ILE126C, ILE143A, ILE143C, ILE149A, ILE149C, ILE164A, ILE164C, ILE178A, ILE178C, ILE185A, LEU118A, LEU118C, LEU120A, LEU122A, LEU122C, LEU160A, LEU160C, LEU169A, LEU169C, LEU180A, LEU180C, LEU252A, LYS119A, LYS119C, LYS130A, LYS130C, LYS131A, LYS131C, LYS133A, LYS133C, LYS166A, LYS166C, LYS182A, LYS182C, MET128A, MET128C, PHE159A, PHE159C, PHE183A, PHE183C, PRO134A, PRO134C, PRO153A, PRO153C, PRO157A, PRO157C, SER148A, SER148C, SER175A, SER175C, THR104A, THR104C, THR105A, THR105C, THR107A, THR107C, THR117A, THR129A, THR129C, THR173A, THR173C, THR176A, THR176C, TYR114A, TYR114C, TYR161A, TYR161C, TYR162A, TYR162C, TYR172A, TYR172C, VAL125A, VAL132A, VAL137C, VAL150A, VAL150C, VAL187A, VAL187C
• A-D: ALA151A, ALA151D, ALA155A, ALA155D, ALA209D, ALA270A, ALA270D, ASP158A, ASP158D, ASP259A, ASP259D, ASP272A, ASP272D, CYS223A, CYS223D, GLN154A, GLN154D, GLN156A, GLN156D, GLN269A, GLN269D, GLU222A, GLU222D, GLY152A, GLY152D, GLY193A, GLY193D, GLY261A, GLY261D, GLY267A, GLY267D, HIS220A, HIS220D, HIS271A, HIS271D, ILE149A, ILE149D, ILE224A, ILE224D, LEU264A, LEU264D, LYS212D, LYS221A, LYS221D, MET194A, MET194D, MET203D, MET205D, MET217A, MET217D, MET266A, MET266D, PHE159A, PHE159D, PHE213A, PHE213D, PHE216A, PHE216D, PRO153A, PRO153D, PRO157A, PRO157D, PRO225A, PRO225D, SER148A, SER148D, SER263A, SER263D, THR105A, THR105D, THR200D, THR262A, THR262D, THR268A, THR268D, VAL150A, VAL150D, VAL257A, VAL265A, VAL265D, VAL273A
• B-C: ALA151B, ALA151C, ALA155B, ALA155C, ALA163B, ALA270B, ALA270C, ASP158B, ASP158C, ASP259B, ASP259C, ASP272B, ASP272C, CYS223B, CYS223C, GLN154B, GLN154C, GLN156B, GLN156C, GLN269B, GLN269C, GLU222B, GLU222C, GLY152B, GLY152C, GLY193B, GLY193C, GLY261B, GLY261C, GLY267B, GLY267C, HIS220B, HIS220C, HIS271B, HIS271C, ILE149B, ILE149C, ILE224B, ILE224C, LEU264B, LEU264C, LYS221B, LYS221C, MET194B, MET194C, MET217B, MET217C, MET266B, MET266C, PHE159B, PHE213B, PHE213C, PHE216B, PHE216C, PRO153B, PRO153C, PRO157B, PRO157C, PRO225B, PRO225C, SER148B, SER148C, SER263B, SER263C, THR262B, THR262C, THR268B, THR268C, VAL150B, VAL150C, VAL257B, VAL265B, VAL265C
• B-D: ALA124B, ALA124D, ALA151B, ALA151D, ALA155B, ALA155D, ALA163B, ALA163D, ALA165B, ALA165D, ALA167B, ALA167D, ALA168B, ALA168D, ALA177B, ALA177D, ALA181B, ALA181D, ARG174B, ARG174D, ASN121D, ASP100D, ASP108B, ASP108D, ASP112B, ASP112D, ASP158B, ASP158D, ASP170B, ASP170D, ASP179B, ASP179D, GLN109B, GLN109D, GLN123B, GLN123D, GLN154B, GLN154D, GLN156B, GLN156D, GLN171B, GLN171D, GLN254B, GLN254D, GLN73B, GLN73D, GLU127B, GLU127D, GLU70B, GLU70D, GLY106B, GLY106D, GLY110B, GLY110D, GLY152B, GLY152D, GLY253B, GLY253D, HIS115B, HIS115D, ILE111B, ILE111D, ILE113B, ILE113D, ILE126B, ILE126D, ILE143B, ILE143D, ILE149B, ILE149D, ILE164B, ILE164D, ILE178B, ILE178D, ILE185D, LEU118B, LEU118D, LEU120D, LEU122B, LEU122D, LEU136B, LEU136D, LEU160B, LEU160D, LEU169B, LEU169D, LEU180B, LEU180D, LEU252B, LEU252D, LYS119B, LYS119D, LYS130B, LYS130D, LYS131B, LYS131D, LYS133B, LYS133D, LYS166B, LYS166D, LYS182B, LYS182D, MET128B, MET128D, PHE159B, PHE159D, PHE183B, PHE183D, PRO134B, PRO134D, PRO153B, PRO153D, PRO157B, PRO157D, SER148B, SER148D, SER175B, SER175D, THR104B, THR104D, THR105B, THR105D, THR107B, THR107D, THR117D, THR129B, THR129D, THR173B, THR173D, THR176B, THR176D, TYR114B, TYR114D, TYR161B, TYR161D, TYR162B, TYR162D, TYR172B, TYR172D, VAL125B, VAL125D, VAL132B, VAL132D, VAL150B, VAL150D, VAL187B, VAL187D
• C-D: ALA177C, ALA177D, ALA181C, ALA181D, ALA218C, ALA218D, ALA228C, ALA228D, ALA229C, ALA229D, ALA236C, ALA236D, ALA258C, ALA258D, ARG174C, ARG174D, ARG186C, ARG186D, ARG245C, ARG245D, ARG3C, ARG3D, ASN188C, ASN188D, ASN237C, ASN237D, ASN246C, ASN246D, ASP170C, ASP170D, ASP179C, ASP179D, ASP244C, ASP244D, ASP259C, ASP259D, CYS223C, CYS223D, GLN171C, GLN171D, GLN254C, GLN254D, GLN269C, GLN269D, GLU196C, GLU196D, GLU222C, GLU222D, GLU233C, GLU233D, GLU29D, GLY184C, GLY184D, GLY193C, GLY193D, GLY227C, GLY227D, GLY230C, GLY230D, GLY253C, GLY253D, GLY260C, GLY260D, GLY261C, GLY261D, HIS234C, HIS234D, ILE149C, ILE149D, ILE178C, ILE178D, ILE185C, ILE185D, ILE18D, ILE224C, ILE224D, ILE226C, ILE226D, ILE235C, ILE235D, ILE238C, ILE238D, ILE239C, ILE239D, ILE251C, ILE251D, ILE256C, ILE256D, LEU180C, LEU180D, LEU240C, LEU240D, LEU242C, LEU242D, LEU247C, LEU247D, LEU252C, LEU252D, LEU25C, LEU25D, LEU264C, LEU264D, LYS182C, LYS182D, LYS221C, LYS221D, LYS231C, LYS231D, MET194C, MET194D, MET217C, MET217D, MET266C, MET266D, PHE183C, PHE183D, PHE241C, PHE241D, PHE249C, PHE249D, PRO153D, PRO192C, PRO192D, PRO225C, PRO225D, SER175C, SER175D, SER191C, SER191D, SER248C, SER248D, SER255C, SER255D, SER263C, SER263D, THR173C, THR173D, THR176D, THR262C, THR262D, TYR250C, TYR250D, VAL187C, VAL187D, VAL190C, VAL190D, VAL195C, VAL195D, VAL257C, VAL257D, VAL265C, VAL265D