2QQ1

crystal structure of molybdenum cofactor biosynthesis (aq_061) other form from aquifex aeolicus vf5

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 33
  • Norm. En. per Res.: -4.6379
• 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	-43.7705	-26.2037	-218.409	-288.3832	77	5	10	9169	4	13	11
A-C	-48.1905	-27.4609	-224.675	-300.3264	88	10	10	9462	4	19	18
A-D	0.0	0.9028	-3.5095	-2.6067	8	0	0	181	0	10	6
B-C	-48.4438	-28.2413	-211.111	-287.7961	76	5	10	9022	4	13	11
C-D	-25.2969	-36.1484	-91.6048	-153.0501	33	4	2	3416	1	13	19
D-E	-48.3454	-29.1698	-207.723	-285.2382	77	7	10	9043	4	13	14
D-F	-47.3711	-26.0402	-232.262	-305.6733	80	13	10	9577	4	17	14
E-F	-46.5828	-26.206	-227.082	-299.8707	81	15	11	9494	4	13	13

Interface residues

• A-B: ALA116A, ALA123B, ALA147B, ALA151B, ALA173B, ALA81A, ALA89A, ARG106A, ARG106B, ARG120A, ARG175B, ARG53A, ARG83A, ASP146B, ASP157B, ASP84A, CYS144B, CYS155B, GLN107A, GLN107B, GLN112A, GLN121A, GLU103A, GLU103B, GLU88A, GLU91A, GLU95B, GLY100B, GLY102A, GLY102B, GLY124B, GLY127B, GLY160B, GLY77A, GLY79A, ILE117A, ILE125B, ILE152B, ILE156B, ILE159B, LEU104A, LEU104B, LEU110A, LEU118A, LEU130B, LEU158B, LEU98B, LYS137A, LYS172B, LYS96B, MET105A, MET105B, MET149B, MET97B, PHE101B, PHE174B, PRO114A, PRO150B, PRO153B, PRO176B, PRO80A, PRO82A, PRO87A, PRO99A, PRO99B, SER119A, SER128B, THR115A, THR122A, THR78A, THR86A, TYR154B, VAL108B, VAL113A, VAL132B, VAL148B, VAL85A
• A-C: ALA116C, ALA123A, ALA147A, ALA151A, ALA173A, ALA81C, ALA89C, ARG106A, ARG106C, ARG120C, ARG16C, ARG175A, ARG53C, ARG83C, ASP146A, ASP157A, ASP15C, ASP84C, CYS144A, CYS155A, GLN107A, GLN107C, GLN112C, GLN121C, GLU103A, GLU103C, GLU23C, GLU88C, GLU91C, GLU95A, GLY100A, GLY100C, GLY102A, GLY102C, GLY124A, GLY127A, GLY136C, GLY160A, GLY77C, GLY79C, ILE117C, ILE125A, ILE152A, ILE156A, ILE159A, ILE25C, LEU104A, LEU104C, LEU110C, LEU118C, LEU130A, LEU158A, LEU98A, LYS111C, LYS137C, LYS172A, LYS177A, LYS178A, LYS96A, MET105A, MET149A, MET97A, PHE101A, PHE174A, PRO114C, PRO138C, PRO150A, PRO153A, PRO176A, PRO80C, PRO82C, PRO87C, PRO99A, PRO99C, SER119C, SER128A, THR115C, THR122C, THR78C, THR86C, TYR154A, TYR22C, VAL108A, VAL113C, VAL132A, VAL148A, VAL171A, VAL85C
• A-D: GLU3A, ILE31D, LYS177A, LYS178A, LYS35D, LYS4D, PHE42D, VAL44D
• B-C: ALA116B, ALA123C, ALA147C, ALA151C, ALA173C, ALA81B, ALA89B, ARG106B, ARG106C, ARG120B, ARG175C, ARG53B, ARG83B, ASP146C, ASP157C, ASP84B, CYS144C, CYS155C, GLN107B, GLN107C, GLN112B, GLN121B, GLU103B, GLU103C, GLU88B, GLU95C, GLY100C, GLY102B, GLY102C, GLY124C, GLY127C, GLY160C, GLY77B, GLY79B, ILE117B, ILE125C, ILE152C, ILE156C, ILE159C, LEU104B, LEU104C, LEU110B, LEU118B, LEU130C, LEU158C, LEU98C, LYS137B, LYS172C, LYS96C, MET105B, MET105C, MET149C, MET97C, PHE101C, PHE174C, PRO114B, PRO150C, PRO153C, PRO176C, PRO80B, PRO82B, PRO87B, PRO99B, PRO99C, SER119B, SER128C, THR115B, THR122B, THR78B, THR86B, TYR154C, VAL108C, VAL113B, VAL132C, VAL148C, VAL85B
• C-D: ALA17C, ALA29D, ARG16C, ARG47D, ASP24C, ASP24D, ASP32D, GLU23C, GLU23D, GLU43D, GLU45D, GLU62D, GLY20C, GLY27D, GLY9D, ILE21C, ILE25C, ILE31D, ILE8D, LEU63D, LYS19C, LYS28D, LYS35D, LYS67D, PHE42D, SER18C, THR12D, TYR22C, TYR46D, VAL10D, VAL44D, VAL48D, VAL7D
• D-E: ALA116D, ALA123E, ALA147E, ALA151E, ALA173E, ALA81D, ALA89D, ARG106D, ARG106E, ARG120D, ARG175E, ARG53D, ARG83D, ASP146E, ASP157E, ASP84D, CYS144E, CYS155E, GLN107D, GLN107E, GLN112D, GLN121D, GLU103D, GLU103E, GLU88D, GLU95E, GLY100E, GLY102D, GLY102E, GLY124E, GLY127E, GLY160E, GLY77D, GLY79D, ILE117D, ILE125E, ILE152E, ILE156E, ILE159E, LEU104D, LEU104E, LEU110D, LEU118D, LEU130E, LEU158E, LEU98E, LYS137D, LYS172E, LYS177E, LYS178E, LYS96E, MET105E, MET149E, MET97E, PHE101E, PHE174E, PRO114D, PRO150E, PRO153E, PRO176E, PRO80D, PRO82D, PRO87D, PRO99D, PRO99E, SER119D, SER128E, THR115D, THR122D, THR78D, THR86D, TYR154E, VAL108E, VAL113D, VAL132E, VAL148E, VAL85D
• D-F: ALA116F, ALA123D, ALA147D, ALA151D, ALA173D, ALA81F, ALA89F, ARG106D, ARG106F, ARG120F, ARG16F, ARG175D, ARG53F, ARG83F, ASP157D, ASP84F, CYS155D, GLN107D, GLN107F, GLN112F, GLN121F, GLN139F, GLU103D, GLU103F, GLU88F, GLU95D, GLY100D, GLY100F, GLY102D, GLY102F, GLY124D, GLY127D, GLY160D, GLY77F, GLY79F, ILE117F, ILE125D, ILE152D, ILE156D, ILE159D, LEU104D, LEU104F, LEU110D, LEU110F, LEU118F, LEU130D, LEU158D, LEU98D, LYS137F, LYS172D, LYS177D, LYS178D, LYS96D, MET105D, MET149D, MET97D, PHE101D, PHE174D, PRO114F, PRO138F, PRO150D, PRO153D, PRO176D, PRO80F, PRO82F, PRO87F, PRO99D, PRO99F, SER119F, SER128D, THR115F, THR122F, THR78F, THR86F, TYR154D, VAL108D, VAL113F, VAL132D, VAL148D, VAL85F
• E-F: ALA116E, ALA123F, ALA147F, ALA151F, ALA173F, ALA81E, ALA89E, ARG106E, ARG120E, ARG16E, ARG175F, ARG53E, ARG83E, ASP146F, ASP157F, ASP84E, CYS144F, CYS155F, GLN107E, GLN107F, GLN112E, GLN121E, GLN139E, GLU103E, GLU103F, GLU88E, GLU95F, GLY100E, GLY100F, GLY102E, GLY102F, GLY124F, GLY127F, GLY160F, GLY77E, GLY79E, ILE117E, ILE125F, ILE152F, ILE156F, ILE159F, LEU104E, LEU104F, LEU110E, LEU118E, LEU130F, LEU158F, LEU98F, LYS137E, LYS172F, LYS177F, LYS96F, MET105F, MET149F, MET97F, PHE101F, PHE174F, PRO114E, PRO138E, PRO150F, PRO153F, PRO176F, PRO80E, PRO82E, PRO87E, PRO99E, PRO99F, SER119E, SER128F, SER140E, THR115E, THR122E, THR78E, THR86E, TYR154F, VAL108F, VAL113E, VAL132F, VAL148F, VAL171F, VAL85E