3UN1

crystal structure of an oxidoreductase from sinorhizobium meliloti 1021

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 39
  • Norm. En. per Res.: -4.3321
• 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	-37.696	-16.1793	-388.255	-442.1303	144	14	25	16407	1	18	13
A-C	-49.5907	7.0647	-126.425	-168.951	39	10	0	4361	0	6	6
A-D	-77.4083	-12.8401	-328.641	-418.8895	139	18	8	13168	2	27	37
B-C	-54.1416	-14.0296	-328.176	-396.3472	136	14	9	13441	2	27	37
B-D	-38.5217	6.8117	-131.662	-163.372	39	6	0	4381	0	6	6
C-D	-21.2206	-19.1402	-380.156	-420.5168	146	9	25	16145	0	18	13

Interface residues

• A-B: ALA105A, ALA105B, ALA114A, ALA114B, ALA115A, ALA115B, ALA116A, ALA116B, ALA144A, ALA144B, ALA146A, ALA146B, ALA155A, ALA155B, ALA161A, ALA161B, ARG113A, ARG113B, ARG158A, ARG158B, ARG166A, ARG166B, ARG235A, ARG235B, ASN103A, ASN103B, ASN154A, ASN154B, ASN232B, ASN78B, ASP135A, ASP135B, ASP95A, ASP95B, ASP97A, ASP97B, GLN112A, GLN112B, GLN136A, GLN136B, GLN93A, GLN93B, GLU117A, GLU117B, GLU163A, GLU163B, GLU57B, GLU90A, GLU90B, GLU94B, GLY101A, GLY101B, GLY106A, GLY106B, GLY140A, GLY140B, GLY151A, GLY151B, GLY152A, GLY152B, GLY222A, GLY222B, HIS109A, HIS109B, ILE110A, ILE110B, ILE126A, ILE126B, LEU100A, LEU100B, LEU119A, LEU119B, LEU133A, LEU133B, LEU145A, LEU145B, LEU148A, LEU148B, LEU153A, LEU153B, LEU160A, LEU160B, LEU76A, LEU76B, LEU84A, LEU84B, LYS120A, LYS120B, LYS150A, LYS150B, LYS55A, LYS55B, LYS86A, LYS86B, PHE107A, PHE107B, PHE108A, PHE108B, PHE164A, PHE164B, PHE88A, PHE88B, PRO137A, PRO137B, PRO142A, PRO142B, PRO56A, PRO56B, PRO87A, PRO87B, SER132B, SER143A, SER143B, SER147A, SER147B, SER159A, SER159B, SER165A, SER165B, SER167B, SER54A, SER54B, THR111A, THR111B, THR131B, THR149A, THR149B, THR157A, THR157B, THR92A, THR92B, TYR96A, TYR96B, VAL102B, VAL104A, VAL104B, VAL134A, VAL134B, VAL139A, VAL139B, VAL156A, VAL156B, VAL89A, VAL89B
• A-C: ALA233A, ALA233C, ARG235A, ARG235C, ASN232A, ASN232C, ASP135A, ASP135C, GLN136A, GLN136C, GLN231A, GLN231C, GLY140A, GLY140C, GLY194A, GLY194C, GLY230A, GLY230C, GLY234A, GLY234C, HIS196A, HIS196C, LEU133A, LEU133C, LEU195A, LEU195C, PRO137A, PRO137C, PRO197A, PRO197C, THR191A, TRP236A, TRP236C, VAL134A, VAL134C, VAL139A, VAL139C, VAL198A, VAL198C
• A-D: ALA155A, ALA155D, ALA161A, ALA161D, ALA193A, ALA193D, ALA210A, ALA210D, ALA217A, ALA217D, ALA233A, ALA233D, ARG158A, ARG158D, ARG166A, ARG166D, ARG170A, ARG170D, ARG200A, ARG200D, ARG205A, ARG205D, ARG235A, ARG235D, ARG27A, ASN172A, ASN172D, ASN232A, ASN232D, ASP135A, ASP206A, ASP206D, ASP209A, ASP209D, ASP228A, ASP228D, GLN136A, GLN136D, GLN231A, GLN231D, GLU163A, GLU163D, GLU203A, GLU203D, GLU223A, GLU223D, GLY168A, GLY168D, GLY177A, GLY177D, GLY194A, GLY194D, GLY199A, GLY199D, GLY202A, GLY202D, GLY218A, GLY218D, GLY222A, GLY222D, GLY229A, GLY229D, GLY230A, GLY230D, GLY234A, GLY234D, HIS196A, HIS196D, HIS216A, HIS216D, HIS226A, HIS226D, ILE179A, ILE179D, ILE220A, ILE220D, ILE224A, ILE224D, LEU160A, LEU160D, LEU192A, LEU192D, LEU195A, LEU195D, LEU212A, LEU212D, LEU214A, LEU214D, LEU225A, LEU225D, LYS180A, LYS180D, PHE164A, PHE164D, PHE219A, PHE219D, PRO176A, PRO176D, PRO197A, PRO197D, SER123A, SER132A, SER132D, SER159A, SER159D, SER165A, SER165D, SER167A, SER167D, SER175A, SER175D, SER190A, SER190D, THR157A, THR157D, THR221A, THR221D, TRP236A, TRP236D, TYR213A, TYR213D, VAL169A, VAL169D, VAL171A, VAL171D, VAL174A, VAL174D, VAL178A, VAL178D, VAL198A, VAL198D, VAL207A, VAL207D, VAL208A, VAL208D, VAL211A, VAL211D, VAL227A, VAL227D
• B-C: ALA155B, ALA155C, ALA161B, ALA161C, ALA193B, ALA193C, ALA210B, ALA210C, ALA217B, ALA217C, ALA233B, ALA233C, ARG158B, ARG158C, ARG166B, ARG166C, ARG170B, ARG170C, ARG200B, ARG200C, ARG205B, ARG205C, ARG235B, ARG235C, ARG27B, ARG27C, ASN172B, ASN172C, ASN232B, ASN232C, ASP206B, ASP206C, ASP209B, ASP209C, ASP228B, ASP228C, GLN136C, GLN231B, GLN231C, GLU163B, GLU163C, GLU203B, GLU203C, GLU223B, GLU223C, GLY168B, GLY168C, GLY177B, GLY177C, GLY194B, GLY194C, GLY199B, GLY199C, GLY202B, GLY202C, GLY218B, GLY218C, GLY222B, GLY222C, GLY229B, GLY229C, GLY230B, GLY230C, GLY234B, GLY234C, HIS196B, HIS196C, HIS216B, HIS216C, HIS226B, HIS226C, ILE179B, ILE179C, ILE220B, ILE220C, ILE224B, ILE224C, LEU160B, LEU160C, LEU192B, LEU192C, LEU195B, LEU195C, LEU212B, LEU212C, LEU214B, LEU214C, LEU225B, LEU225C, LYS180B, LYS180C, PHE164B, PHE164C, PHE219B, PHE219C, PRO176B, PRO176C, PRO197B, PRO197C, SER132B, SER132C, SER159B, SER159C, SER165B, SER165C, SER167B, SER167C, SER175B, SER175C, SER190B, THR157B, THR157C, THR221B, THR221C, TRP236B, TRP236C, TYR213B, TYR213C, VAL169B, VAL169C, VAL171B, VAL171C, VAL174B, VAL174C, VAL178B, VAL178C, VAL198B, VAL198C, VAL207B, VAL207C, VAL208B, VAL208C, VAL211B, VAL211C, VAL227B, VAL227C
• B-D: ALA233B, ALA233D, ARG235B, ARG235D, ASN232B, ASN232D, ASP135B, ASP135D, GLN136B, GLN136D, GLN231B, GLN231D, GLY140B, GLY140D, GLY194B, GLY194D, GLY230B, GLY230D, GLY234B, GLY234D, HIS196B, HIS196D, LEU133B, LEU133D, LEU195B, LEU195D, PRO137B, PRO137D, PRO197B, PRO197D, THR191D, TRP236B, TRP236D, VAL134B, VAL134D, VAL139B, VAL139D, VAL198B, VAL198D
• C-D: ALA105C, ALA105D, ALA114C, ALA114D, ALA115C, ALA115D, ALA116C, ALA116D, ALA144C, ALA144D, ALA146C, ALA146D, ALA155C, ALA155D, ALA161C, ALA161D, ARG113C, ARG113D, ARG158C, ARG158D, ARG166C, ARG166D, ARG235C, ASN103C, ASN103D, ASN154C, ASN154D, ASN232C, ASN99C, ASP135C, ASP135D, ASP95C, ASP95D, ASP97C, ASP97D, GLN112C, GLN112D, GLN136C, GLN136D, GLN93C, GLN93D, GLU117C, GLU117D, GLU163C, GLU163D, GLU57C, GLU90C, GLU90D, GLU94D, GLY101C, GLY101D, GLY106C, GLY106D, GLY140C, GLY140D, GLY151C, GLY151D, GLY152C, GLY152D, GLY222C, GLY222D, HIS109C, HIS109D, ILE110C, ILE110D, ILE126C, ILE126D, LEU100C, LEU100D, LEU119C, LEU119D, LEU133C, LEU133D, LEU145C, LEU145D, LEU148C, LEU148D, LEU153C, LEU153D, LEU160C, LEU160D, LEU76C, LEU76D, LEU84C, LEU84D, LYS120C, LYS120D, LYS150C, LYS150D, LYS55C, LYS55D, LYS86C, LYS86D, PHE107C, PHE107D, PHE108C, PHE108D, PHE164C, PHE164D, PHE88C, PHE88D, PRO137C, PRO137D, PRO142C, PRO142D, PRO56C, PRO56D, PRO87C, PRO87D, SER132C, SER143C, SER143D, SER147C, SER147D, SER159C, SER159D, SER165C, SER165D, SER54C, SER54D, THR111C, THR111D, THR131C, THR131D, THR149C, THR149D, THR157C, THR157D, THR92C, THR92D, TYR96C, TYR96D, VAL104C, VAL104D, VAL134C, VAL134D, VAL139C, VAL139D, VAL156C, VAL156D, VAL169C, VAL169D, VAL171C, VAL171D, VAL89C, VAL89D