3UXY

the crystal structure of short chain dehydrogenase from rhodobacter sphaeroides

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 121
  • Norm. En. per Res.: -4.6323
• 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	3.6957	-4.6926	-0.997	25	0	3	624	0	2	3
A-C	-44.3392	-94.3954	-392.96	-531.6946	137	13	13	15434	12	24	24
A-D	-54.6412	-118.412	-387.458	-560.5112	121	7	15	14199	6	21	19
B-C	-34.4979	-122.4369	-383.866	-540.8007	122	10	16	14230	6	22	19
B-D	-36.4677	-91.8023	-394.631	-522.901	138	15	13	15617	12	24	24
C-D	0.0	1.3878	-4.2366	-2.8489	25	0	3	594	0	2	3

Interface residues

• A-B: ALA242A, ALA242B, ALA244A, ALA244B, ARG136A, ARG136B, ASN238A, ASN238B, GLU236A, GLU236B, GLY138A, GLY138B, GLY240A, GLY240B, LEU135A, LEU135B, LYS241B, PRO137A, PRO137B, PRO139A, PRO139B, PRO205A, PRO205B, VAL243A, VAL243B
• A-C: ALA106A, ALA106C, ALA113A, ALA113C, ALA114A, ALA114C, ALA119A, ALA119C, ALA142A, ALA142C, ALA149A, ALA149C, ALA150A, ALA150C, ALA152A, ALA152C, ALA163A, ALA56A, ALA56C, ALA94A, ALA94C, ARG109A, ARG109C, ARG112A, ARG112C, ARG136A, ARG136C, ARG87A, ARG87C, ASN103A, ASN103C, ASP161A, ASP161C, ASP60A, ASP60C, ASP93A, ASP93C, ASP95A, ASP95C, CYS111A, CYS111C, CYS145A, CYS145C, CYS157A, CYS157C, GLN156A, GLN156C, GLN165A, GLN165C, GLU105A, GLU105C, GLU90A, GLU90C, GLY101A, GLY101C, GLY134A, GLY134C, GLY138A, GLY138C, GLY140A, GLY140C, GLY159A, GLY159C, GLY232A, GLY232C, GLY86A, GLY86C, HIS141A, HIS141C, HIS162A, HIS162C, ILE110A, ILE110C, ILE115A, ILE115C, ILE126A, ILE126C, ILE167A, ILE167C, ILE169A, ILE169C, ILE88A, ILE88C, LEU100A, LEU100C, LEU117A, LEU117C, LEU135A, LEU135C, LEU143A, LEU143C, LEU146A, LEU146C, LEU151A, LEU151C, LEU154A, LEU154C, LEU234A, LEU234C, LYS148A, LYS148C, PHE108A, PHE108C, PRO107A, PRO107C, PRO116A, PRO116C, PRO137A, PRO137C, PRO139A, PRO139C, PRO164A, PRO164C, SER153A, SER153C, SER97A, SER97C, THR147A, THR147C, THR155A, THR155C, THR89A, THR89C, THR91A, THR91C, THR92A, THR92C, TRP133A, TRP133C, TRP96A, TRP96C, TYR144A, TYR144C, VAL104A, VAL104C, VAL243A, VAL243C
• A-D: ALA163A, ALA163D, ALA210A, ALA210D, ALA216A, ALA216D, ALA21A, ALA21D, ALA226A, ALA226D, ALA227A, ALA227D, ARG136A, ARG136D, ARG168A, ARG168D, ARG208A, ARG208D, ARG228A, ARG228D, ASN170A, ASN170D, ASN175A, ASN175D, ASN178A, ASN178D, ASN238A, ASN238D, ASP161A, ASP161D, ASP214A, ASP214D, ASP217A, ASP217D, ASP225A, ASP225D, CYS132D, CYS173A, CYS173D, CYS231A, CYS231D, GLN156A, GLN156D, GLN165A, GLN165D, GLU176A, GLU176D, GLU211A, GLU211D, GLU213A, GLU213D, GLU236A, GLU236D, GLY159A, GLY159D, GLY166A, GLY166D, GLY201A, GLY201D, GLY207A, GLY207D, GLY232A, GLY232D, GLY239A, GLY239D, GLY240A, GLY240D, HIS162A, HIS162D, ILE167A, ILE167D, ILE169A, ILE169D, ILE209A, ILE209D, ILE215A, ILE215D, LEU200A, LEU200D, LEU206A, LEU206D, LEU220A, LEU220D, LEU222A, LEU222D, LEU230A, LEU230D, LEU234A, LEU234D, LYS241A, LYS241D, PHE221A, PHE221D, PRO164A, PRO164D, PRO174A, PRO174D, PRO205A, PRO205D, PRO212A, PRO212D, SER224A, SER224D, SER233A, SER233D, TYR229A, TYR229D, VAL172A, VAL172D, VAL177A, VAL177D, VAL204A, VAL204D, VAL218A, VAL218D, VAL219A, VAL219D, VAL235A, VAL235D, VAL237A, VAL237D
• B-C: ALA163B, ALA163C, ALA210B, ALA210C, ALA216B, ALA216C, ALA21B, ALA21C, ALA226B, ALA226C, ALA227B, ALA227C, ALA242B, ARG136B, ARG136C, ARG168B, ARG168C, ARG208B, ARG208C, ARG228B, ARG228C, ASN170B, ASN170C, ASN175B, ASN175C, ASN178B, ASN178C, ASN238B, ASN238C, ASP161B, ASP161C, ASP214B, ASP214C, ASP217B, ASP217C, ASP225B, ASP225C, CYS132B, CYS132C, CYS173B, CYS173C, CYS231B, CYS231C, GLN156B, GLN156C, GLN165B, GLN165C, GLU176B, GLU176C, GLU211B, GLU211C, GLU213B, GLU213C, GLU236B, GLU236C, GLY159B, GLY159C, GLY166B, GLY166C, GLY201B, GLY201C, GLY207B, GLY207C, GLY232B, GLY232C, GLY239B, GLY239C, GLY240B, GLY240C, HIS162B, HIS162C, ILE167B, ILE167C, ILE169B, ILE169C, ILE209B, ILE209C, ILE215B, ILE215C, LEU200C, LEU206B, LEU206C, LEU220B, LEU220C, LEU222B, LEU222C, LEU230B, LEU230C, LEU234B, LEU234C, LYS241B, LYS241C, PHE221B, PHE221C, PRO164B, PRO164C, PRO174B, PRO174C, PRO205B, PRO205C, PRO212B, PRO212C, SER224B, SER224C, SER233B, SER233C, TYR229B, TYR229C, VAL172B, VAL172C, VAL177B, VAL177C, VAL204B, VAL204C, VAL218B, VAL218C, VAL219B, VAL219C, VAL235B, VAL235C, VAL237B, VAL237C
• B-D: ALA106B, ALA106D, ALA113B, ALA113D, ALA114B, ALA114D, ALA119B, ALA119D, ALA142B, ALA142D, ALA149B, ALA149D, ALA150B, ALA150D, ALA152B, ALA152D, ALA163B, ALA163D, ALA56B, ALA56D, ALA94B, ALA94D, ARG109B, ARG109D, ARG112B, ARG112D, ARG136B, ARG136D, ARG87B, ARG87D, ASN103B, ASN103D, ASP161B, ASP161D, ASP60B, ASP60D, ASP93B, ASP93D, ASP95B, ASP95D, CYS111B, CYS111D, CYS145B, CYS145D, CYS157B, CYS157D, GLN156B, GLN156D, GLN165B, GLN165D, GLU105B, GLU105D, GLU90B, GLU90D, GLY101B, GLY101D, GLY134B, GLY134D, GLY138B, GLY138D, GLY140B, GLY140D, GLY159B, GLY159D, GLY232B, GLY232D, GLY86B, GLY86D, HIS141B, HIS141D, HIS162B, HIS162D, ILE110D, ILE115B, ILE115D, ILE126B, ILE126D, ILE167B, ILE167D, ILE169B, ILE169D, ILE88B, ILE88D, LEU100B, LEU100D, LEU117B, LEU117D, LEU135B, LEU135D, LEU143B, LEU143D, LEU146B, LEU146D, LEU151B, LEU151D, LEU154B, LEU154D, LEU234B, LEU234D, LYS148B, LYS148D, PHE108B, PHE108D, PRO107B, PRO107D, PRO116B, PRO116D, PRO137B, PRO137D, PRO139B, PRO139D, PRO164B, PRO164D, SER153B, SER153D, SER233D, SER97B, SER97D, THR147B, THR147D, THR155B, THR155D, THR89B, THR89D, THR91B, THR91D, THR92B, THR92D, TRP133B, TRP133D, TRP96B, TRP96D, TYR144B, TYR144D, VAL104B, VAL104D, VAL243B, VAL243D
• C-D: ALA242C, ALA242D, ALA244C, ALA244D, ARG136C, ARG136D, ASN238C, ASN238D, GLU236D, GLY138C, GLY138D, GLY240C, GLY240D, LEU135C, LEU135D, LYS241C, LYS241D, PRO137C, PRO137D, PRO139C, PRO139D, PRO205C, PRO205D, VAL243C, VAL243D