3O38

crystal structure of a short chain dehydrogenase from mycobacterium smegmatis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 152
  • Norm. En. per Res.: -5.2819
• 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	-54.8583	-130.3966	-488.406	-673.661	150	15	20	19054	5	38	40
A-C	-5.4101	0.0	-41.6678	-47.078	28	2	0	1328	0	7	5
A-D	-79.1166	16.0423	-624.585	-687.6592	167	14	22	21848	0	27	37
B-C	-89.8041	14.1341	-648.233	-723.9029	170	17	22	22513	0	28	37
B-D	-7.0181	0.0	-44.2116	-51.2297	28	3	0	1359	0	4	4
C-D	-60.216	-229.5222	-513.109	-802.8472	152	10	20	19307	14	39	35

Interface residues

• A-B: ALA135A, ALA135B, ALA138A, ALA138B, ALA139A, ALA139B, ALA163A, ALA163B, ALA171A, ALA171B, ALA172A, ALA172B, ALA173A, ALA173B, ALA175A, ALA175B, ALA179A, ALA179B, ALA185A, ALA185B, ALA188A, ALA188B, ALA262A, ALA262B, ARG134A, ARG134B, ARG137A, ARG137B, ARG141A, ARG141B, ARG144A, ARG144B, ARG162A, ARG162B, ARG182A, ARG182B, ARG261A, ARG261B, ASN126A, ASN126B, ASP115A, ASP115B, ASP118A, ASP118B, ASP122A, ASP122B, CYS183A, CYS183B, GLN164A, GLN164B, GLN167A, GLN167B, GLU119A, GLU119B, GLU120A, GLU120B, GLU187A, GLU187B, GLU190A, GLU190B, GLU253A, GLU253B, GLU82A, GLU82B, GLY160A, GLY160B, GLY176A, GLY176B, GLY252A, GLY252B, HIS165A, HIS165B, HIS169A, HIS169B, ILE152A, ILE152B, ILE186A, ILE186B, ILE195A, ILE195B, LEU125A, LEU125B, LEU129A, LEU129B, LEU140A, LEU140B, LEU159A, LEU159B, LEU180A, LEU180B, LYS174A, LYS174B, MET116A, MET116B, MET133A, MET133B, MET178A, MET178B, PHE143A, PHE143B, PHE191A, PHE191B, PRO112A, PRO112B, SER131A, SER131B, SER166A, SER166B, SER168A, SER168B, SER184A, SER184B, SER80A, SER80B, THR111A, THR111B, THR117A, THR117B, THR130A, THR130B, THR136A, THR136B, THR181A, THR181B, THR251A, THR251B, THR79A, THR79B, THR81A, THR81B, TRP121A, TRP121B, TRP161A, TRP161B, TYR142A, TYR142B, TYR170A, TYR170B, VAL113A, VAL113B, VAL114A, VAL114B, VAL132A, VAL132B, VAL158A, VAL158B, VAL177A, VAL177B, VAL189A, VAL189B
• A-C: ALA163A, ALA163C, ALA175A, ALA175C, ALA225A, ALA225C, ALA262A, ALA262C, ARG162A, ARG162C, ARG182A, ARG182C, ARG261A, ARG261C, GLN164A, GLN164C, GLN260A, GLN260C, GLY160A, GLY160C, MET178A, MET178C, SER259A, SER259C, TRP161A, TRP161C, VAL158A, VAL158C
• A-D: ALA179A, ALA179D, ALA185A, ALA185D, ALA188A, ALA188D, ALA203A, ALA225A, ALA225D, ALA229A, ALA229D, ALA230A, ALA230D, ALA236A, ALA236D, ALA237A, ALA237D, ALA240A, ALA240D, ALA262A, ALA262D, ALA6A, ALA6D, ARG182A, ARG182D, ARG194A, ARG194D, ARG228A, ARG228D, ARG261A, ARG261D, ARG38A, ARG38D, ASN196A, ASN196D, ASN2A, ASN2D, ASP11A, ASP11D, ASP147A, ASP223A, ASP245A, ASP245D, CYS183A, CYS183D, GLN260A, GLN260D, GLU187A, GLU187D, GLU190A, GLU190D, GLU224A, GLU224D, GLU231A, GLU231D, GLU234A, GLU234D, GLU253A, GLU253D, GLU42A, GLU42D, GLU9A, GLU9D, GLY12A, GLY12D, GLY149A, GLY149D, GLY14A, GLY14D, GLY150A, GLY150D, GLY192A, GLY192D, GLY227A, GLY227D, GLY252A, GLY252D, HIS13A, HIS13D, HIS148A, HIS148D, ILE10A, ILE10D, ILE186A, ILE186D, ILE195A, ILE195D, ILE202A, ILE202D, ILE239A, ILE239D, LEU15A, LEU15D, LEU16A, LEU16D, LEU242A, LEU242D, LEU3A, LEU3D, LEU41A, LEU41D, LYS17A, LYS17D, LYS8A, LYS8D, MET178A, MET178D, MET250A, MET250D, PHE191A, PHE191D, PHE226A, PHE226D, PHE241A, PHE241D, PRO200A, PRO200D, PRO7A, PRO7D, SER199A, SER199D, SER201A, SER201D, SER244A, SER244D, SER247A, SER247D, SER248A, SER248D, SER256A, SER256D, SER258A, SER258D, SER259A, SER259D, SER4A, SER4D, THR181A, THR181D, THR238A, THR238D, THR251A, THR251D, TRP161A, TRP161D, TRP233A, TRP233D, TYR246A, TYR246D, TYR249A, TYR249D, VAL151A, VAL151D, VAL189A, VAL189D, VAL193A, VAL193D, VAL198A, VAL198D, VAL235A, VAL235D, VAL254A, VAL254D, VAL255A, VAL255D, VAL257A, VAL257D
• B-C: ALA179B, ALA179C, ALA185B, ALA185C, ALA188B, ALA188C, ALA225B, ALA225C, ALA229B, ALA229C, ALA230B, ALA230C, ALA236B, ALA236C, ALA237B, ALA237C, ALA240B, ALA240C, ALA262B, ALA262C, ALA6B, ALA6C, ARG182B, ARG182C, ARG194B, ARG194C, ARG228B, ARG228C, ARG261B, ARG261C, ARG38B, ARG38C, ARG97B, ASN196B, ASN196C, ASN2B, ASN2C, ASP11B, ASP11C, ASP147B, ASP147C, ASP245B, ASP245C, CYS183B, CYS183C, GLN260B, GLN260C, GLU187B, GLU187C, GLU190B, GLU190C, GLU224B, GLU224C, GLU231B, GLU231C, GLU234B, GLU234C, GLU253B, GLU253C, GLU42B, GLU42C, GLU9B, GLU9C, GLY12B, GLY12C, GLY149B, GLY149C, GLY14B, GLY14C, GLY150B, GLY150C, GLY192B, GLY192C, GLY227B, GLY227C, GLY252B, GLY252C, HIS13B, HIS13C, HIS148B, HIS148C, ILE10B, ILE10C, ILE186B, ILE186C, ILE195B, ILE195C, ILE202B, ILE202C, ILE239B, ILE239C, LEU15B, LEU15C, LEU16B, LEU16C, LEU242B, LEU242C, LEU3B, LEU3C, LEU41B, LEU41C, LYS17B, LYS17C, LYS19B, LYS8B, LYS8C, MET178B, MET178C, MET1C, MET250B, MET250C, PHE191B, PHE191C, PHE226B, PHE226C, PHE241B, PHE241C, PRO200B, PRO200C, PRO7B, PRO7C, SER199B, SER199C, SER201B, SER201C, SER244B, SER244C, SER247B, SER247C, SER248B, SER248C, SER256B, SER256C, SER258B, SER258C, SER259B, SER259C, SER4B, SER4C, THR181B, THR181C, THR238B, THR238C, THR251B, THR251C, TRP161B, TRP161C, TRP233B, TRP233C, TYR246B, TYR246C, TYR249B, TYR249C, VAL146B, VAL151B, VAL151C, VAL189B, VAL189C, VAL193B, VAL193C, VAL198B, VAL198C, VAL235B, VAL235C, VAL254B, VAL254C, VAL255B, VAL255C, VAL257B, VAL257C
• B-D: ALA163B, ALA163D, ALA175B, ALA175D, ALA225B, ALA225D, ALA262B, ALA262D, ARG162B, ARG162D, ARG182B, ARG182D, ARG261B, ARG261D, GLN164B, GLN164D, GLN260B, GLN260D, GLY160B, GLY160D, MET178B, MET178D, SER259B, SER259D, TRP161B, TRP161D, VAL158B, VAL158D
• C-D: ALA135C, ALA135D, ALA138C, ALA138D, ALA139C, ALA139D, ALA163C, ALA163D, ALA171C, ALA171D, ALA172C, ALA172D, ALA173C, ALA173D, ALA175C, ALA175D, ALA179C, ALA179D, ALA185C, ALA185D, ALA188C, ALA188D, ALA262C, ALA262D, ARG134C, ARG134D, ARG137C, ARG137D, ARG141C, ARG141D, ARG144C, ARG144D, ARG162C, ARG162D, ARG182C, ARG182D, ARG261C, ARG261D, ASN126C, ASN126D, ASP115C, ASP115D, ASP118C, ASP118D, ASP122C, ASP122D, CYS183C, CYS183D, GLN164C, GLN164D, GLN167C, GLN167D, GLU119C, GLU119D, GLU120C, GLU120D, GLU187C, GLU187D, GLU190C, GLU190D, GLU253C, GLU253D, GLU82C, GLU82D, GLY145C, GLY145D, GLY160C, GLY160D, GLY176C, GLY176D, GLY252C, GLY252D, HIS165C, HIS165D, HIS169C, HIS169D, ILE152C, ILE152D, ILE186C, ILE186D, ILE195C, ILE195D, LEU125C, LEU125D, LEU129C, LEU129D, LEU140C, LEU140D, LEU159C, LEU159D, LEU180C, LEU180D, LYS174C, LYS174D, MET116C, MET116D, MET133C, MET133D, MET178C, MET178D, PHE143C, PHE143D, PHE191C, PHE191D, PRO112C, PRO112D, SER131C, SER131D, SER166C, SER166D, SER168C, SER168D, SER184C, SER184D, SER80C, SER80D, THR111C, THR111D, THR117C, THR117D, THR130C, THR130D, THR136C, THR136D, THR181C, THR181D, THR251C, THR251D, THR79C, THR79D, THR81C, THR81D, TRP121C, TRP121D, TRP161C, TRP161D, TYR142C, TYR142D, TYR170C, TYR170D, VAL113C, VAL113D, VAL114C, VAL114D, VAL132C, VAL132D, VAL158C, VAL158D, VAL177C, VAL177D, VAL189C, VAL189D