3K6A

crystal structure of molybdenum cofactor biosynthesis protein mog from shewanella oneidensis

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 68
  • Norm. En. per Res.: -3.5974
• Hub Node: B(4)

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	0.0	-0.0019	-0.0019	4	0	0	2	0	3	0
A-C	-21.0702	-42.5888	-180.963	-244.622	68	4	7	7356	3	20	17
A-E	-29.4583	-21.6471	-184.797	-235.9024	69	3	7	7464	2	20	17
B-C	-4.2223	-7.8348	-48.8185	-60.8756	27	0	0	2069	0	21	22
B-D	-35.3126	-25.3568	-177.627	-238.2964	68	10	7	7386	2	19	15
B-E	0.0	-1.8659	-1.1708	-3.0368	9	0	0	136	0	8	4
B-F	-18.1073	-15.9956	-170.359	-204.4619	67	5	6	6866	3	21	17
C-E	-23.6276	-29.308	-184.701	-237.6365	69	5	7	7657	3	20	16
C-F	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	2	4
D-F	-27.614	-27.3619	-186.92	-241.8959	70	9	7	7610	2	19	17
E-F	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	6	0

Interface residues

• A-B: GLU64B, LYS170A, LYS60B, PHE172A
• A-C: ALA105A, ALA105C, ALA114C, ALA121A, ALA145A, ALA149A, ALA79C, ARG104C, ARG118C, ARG173A, ARG81C, ARG94A, ASP126A, ASP144A, ASP155A, ASP82C, ASP93A, CYS153A, GLN119C, GLN51C, GLU101A, GLU101C, GLU158A, GLU86C, GLY100A, GLY100C, GLY122A, GLY125A, GLY75C, GLY77C, GLY98A, ILE115C, ILE150A, ILE154A, LEU102A, LEU102C, LEU108C, LEU116C, LEU123A, LEU128A, LEU156A, LYS135C, LYS170A, LYS175A, LYS80C, PHE110C, PHE147A, PHE172A, PHE99A, PRO112C, PRO148A, PRO151A, PRO171A, PRO174A, PRO78C, PRO85C, PRO97A, PRO97C, SER117C, THR113C, THR120C, THR76C, THR84C, TYR152A, VAL111C, VAL130A, VAL146A, VAL83C
• A-E: ALA105A, ALA105E, ALA114A, ALA121E, ALA145E, ALA149E, ALA79A, ARG104A, ARG118A, ARG173E, ARG81A, ARG94E, ASP126E, ASP144E, ASP155E, ASP82A, ASP93E, CYS153E, GLN119A, GLN51A, GLU101A, GLU101E, GLU106E, GLU158E, GLU86A, GLU89A, GLY100A, GLY100E, GLY122E, GLY125E, GLY75A, GLY77A, GLY98A, GLY98E, ILE115A, ILE150E, ILE154E, LEU102A, LEU102E, LEU108A, LEU116A, LEU123E, LEU128E, LEU156E, LYS135A, LYS170E, LYS80A, PHE110A, PHE147E, PHE172E, PHE99E, PRO112A, PRO148E, PRO151E, PRO171E, PRO78A, PRO85A, PRO97A, PRO97E, SER117A, THR113A, THR120A, THR76A, THR84A, TYR152E, VAL111A, VAL130E, VAL146E, VAL83A
• B-C: ALA105C, ALA90B, ARG124B, ASP52B, ASP63B, GLN51B, GLU106C, GLU141C, GLU55B, GLU64B, ILE54B, ILE59B, LEU102C, LEU108C, LEU58B, LYS109C, LYS137C, LYS170C, LYS60B, PHE110C, PRO112C, SER107C, THR56B, THR57B, VAL111C, VAL53B, VAL91B
• B-D: ALA105B, ALA105D, ALA114D, ALA121B, ALA145B, ALA149B, ALA79D, ARG104D, ARG118D, ARG173B, ARG81D, ARG94B, ASP126B, ASP144B, ASP155B, ASP82D, ASP93B, CYS153B, GLN119D, GLU101B, GLU101D, GLU106B, GLU158B, GLU86D, GLU89D, GLY100B, GLY100D, GLY122B, GLY125B, GLY75D, GLY77D, GLY98B, ILE115D, ILE150B, ILE154B, LEU102B, LEU102D, LEU108D, LEU116D, LEU123B, LEU128B, LEU156B, LYS135D, LYS170B, LYS80D, PHE110D, PHE147B, PHE172B, PHE99B, PRO112D, PRO148B, PRO151B, PRO171B, PRO174B, PRO78D, PRO85D, PRO97B, PRO97D, SER117D, THR113D, THR120D, THR76D, THR84D, TYR152B, VAL111D, VAL130B, VAL146B, VAL83D
• B-E: ARG81B, ASP52B, GLN51B, GLU50B, LEU108E, LYS109E, LYS137E, LYS80B, PHE110E
• B-F: ALA105B, ALA105F, ALA114B, ALA121F, ALA145F, ALA149F, ALA79B, ARG104B, ARG118B, ARG173F, ARG81B, ARG94F, ASP126F, ASP155F, ASP82B, ASP93F, CYS153F, GLN119B, GLN51B, GLU101B, GLU101F, GLU106F, GLU158F, GLU86B, GLU89B, GLY100B, GLY100F, GLY122F, GLY125F, GLY75B, GLY77B, GLY98F, ILE115B, ILE150F, ILE154F, LEU102B, LEU102F, LEU108B, LEU116B, LEU123F, LEU128F, LEU156F, LYS135B, LYS170F, LYS80B, PHE110B, PHE147F, PHE172F, PHE99F, PRO112B, PRO148F, PRO151F, PRO171F, PRO78B, PRO85B, PRO97B, PRO97F, SER117B, THR113B, THR120B, THR76B, THR84B, TYR152F, VAL111B, VAL130F, VAL146F, VAL83B
• C-E: ALA105C, ALA105E, ALA114E, ALA121C, ALA145C, ALA149C, ALA79E, ARG104E, ARG118E, ARG173C, ARG81E, ARG94C, ASP126C, ASP144C, ASP155C, ASP82E, ASP93C, CYS153C, GLN119E, GLN51E, GLU101C, GLU101E, GLU106C, GLU158C, GLU86E, GLU89E, GLY100C, GLY100E, GLY122C, GLY125C, GLY75E, GLY77E, GLY98C, ILE115E, ILE150C, ILE154C, LEU102C, LEU102E, LEU108E, LEU116E, LEU123C, LEU128C, LEU156C, LYS135E, LYS170C, LYS80E, PHE110E, PHE147C, PHE172C, PHE99C, PRO112E, PRO148C, PRO151C, PRO171C, PRO174C, PRO78E, PRO85E, PRO97C, PRO97E, SER117E, THR113E, THR120E, THR76E, THR84E, TYR152C, VAL111E, VAL130C, VAL146C, VAL83E
• C-F: ARG124F, PHE172C
• D-F: ALA105D, ALA105F, ALA114F, ALA121D, ALA145D, ALA149D, ALA79F, ARG104F, ARG118F, ARG124D, ARG173D, ARG81F, ARG94D, ASP126D, ASP144D, ASP155D, ASP82F, ASP93D, CYS153D, GLN119F, GLU101D, GLU101F, GLU106D, GLU158D, GLU86F, GLU89F, GLY100D, GLY100F, GLY122D, GLY125D, GLY75F, GLY77F, GLY98D, ILE115F, ILE150D, ILE154D, LEU102D, LEU102F, LEU108F, LEU116F, LEU123D, LEU128D, LEU156D, LYS135F, LYS170D, LYS80F, PHE110F, PHE147D, PHE172D, PHE99D, PRO112F, PRO148D, PRO151D, PRO171D, PRO174D, PRO78F, PRO85F, PRO97D, PRO97F, SER117F, SER127D, THR113F, THR120F, THR76F, THR84F, TYR152D, VAL111F, VAL130D, VAL146D, VAL83F
• E-F: ASP63F, LYS137E