1O8Q

the active site of the molybdenum cofactor biosenthetic protein domain cnx1g

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 75
  • Norm. En. per Res.: -3.7664
• Hub Node: A(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	-17.5319	-13.666	-252.688	-283.886	76	12	7	9852	2	19	16
A-C	-18.4764	-12.663	-245.373	-276.5125	76	14	7	9850	2	19	17
A-F	0.0	0.0	-0.0868	-0.0868	2	0	0	11	0	2	0
A-H	-48.1177	24.049	-168.871	-192.9397	86	6	2	8225	0	16	18
B-C	-19.523	-13.4954	-253.082	-286.1003	76	12	7	9927	2	19	17
C-D	0.0	0.0	-0.0926	-0.0926	2	0	0	11	0	2	0
C-F	0.0	0.0	-6.3096	-6.3096	16	3	0	263	0	6	9
D-E	-16.3952	-10.6523	-254.133	-281.1805	76	12	7	9835	2	20	17
D-F	-17.6976	-12.3654	-252.415	-282.478	75	14	7	9885	2	19	17
E-F	-16.0307	-11.5012	-255.14	-282.6719	76	12	7	9850	2	19	16
F-G	-55.2516	23.6449	-176.559	-208.1656	87	9	2	8466	0	16	17
F-H	0.0	19.4049	-15.6129	3.792	13	0	1	721	0	7	11

Interface residues

• A-B: ALA119B, ALA125B, ALA126A, ALA150A, ALA154A, ALA158A, ARG123B, ARG86B, ARG99A, ASP87B, CYS147A, GLN110A, GLN110B, GLN161A, GLU100A, GLU111A, GLU111B, GLU149A, GLU91B, GLU98A, GLY103A, GLY103B, GLY127A, GLY130A, GLY80B, GLY82B, HIS157A, ILE128A, ILE134A, ILE135A, ILE162A, ILE97A, LEU104A, LEU105A, LEU105B, LEU113A, LEU113B, LEU121B, LEU133A, LEU151A, LEU152A, LEU155A, LEU159A, LEU74A, LYS114B, LYS156A, LYS160A, LYS163A, LYS94B, MET108A, MET108B, MET109A, MET109B, MET120B, PHE106A, PHE106B, PHE118B, PHE83B, PRO102A, PRO102B, PRO117B, PRO153A, PRO85B, PRO90B, SER122B, SER124B, SER131A, THR101A, THR116B, THR81B, THR84B, THR89B, VAL107A, VAL107B, VAL56B, VAL88B
• A-C: ALA119A, ALA125A, ALA126C, ALA150C, ALA154C, ALA158C, ARG123A, ARG86A, ARG99C, ASP87A, CYS147C, GLN110A, GLN110C, GLN161C, GLU100C, GLU111A, GLU111C, GLU149C, GLU91A, GLU98C, GLY103A, GLY103C, GLY127C, GLY130C, GLY80A, GLY82A, HIS157C, ILE128C, ILE134C, ILE135C, ILE162C, ILE97C, LEU104C, LEU105A, LEU105C, LEU113A, LEU113C, LEU121A, LEU133C, LEU151C, LEU152C, LEU155C, LEU159C, LEU74C, LYS114A, LYS156C, LYS160C, LYS163C, LYS94A, MET108A, MET108C, MET109A, MET109C, MET120A, PHE106A, PHE106C, PHE118A, PHE83A, PRO102A, PRO102C, PRO117A, PRO153C, PRO85A, PRO90A, SER122A, SER124A, SER131C, THR101C, THR116A, THR81A, THR84A, THR89A, VAL107A, VAL107C, VAL56A, VAL88A
• A-F: ARG25A, GLU71F
• A-H: ALA19A, ALA19H, ALA21A, ALA21H, ALA30A, ALA30H, ALA48A, ALA48H, ALA50A, ALA50H, ALA9A, ALA9H, ARG25A, ARG25H, ARG29A, ARG29H, ARG58A, ARG58H, ASN142A, ASN142H, ASP24A, ASP24H, ASP35A, ASP35H, ASP70A, ASP70H, GLY20A, GLY20H, GLY22A, GLY22H, GLY27A, GLY27H, ILE10A, ILE10H, ILE62A, ILE62H, LYS45A, LYS45H, LYS65A, LYS65H, LYS7A, LYS7H, MET72A, MET72H, PRO141A, PRO141H, PRO23A, PRO23H, PRO28A, PRO28H, PRO53A, PRO53H, SER18A, SER18H, SER26A, SER26H, SER32A, SER32H, SER36A, SER36H, THR12A, THR12H, THR49A, THR49H, TRP66A, TRP66H, VAL17A, VAL17H, VAL31A, VAL31H, VAL33A, VAL33H, VAL34A, VAL34H, VAL46A, VAL46H, VAL47A, VAL47H, VAL51A, VAL51H, VAL52A, VAL52H, VAL69A, VAL69H, VAL8A, VAL8H
• B-C: ALA119C, ALA125C, ALA126B, ALA150B, ALA154B, ALA158B, ARG123C, ARG86C, ARG99B, ASP87C, CYS147B, GLN110B, GLN110C, GLN161B, GLU100B, GLU111B, GLU111C, GLU149B, GLU91C, GLU98B, GLY103B, GLY103C, GLY127B, GLY130B, GLY80C, GLY82C, HIS157B, ILE128B, ILE134B, ILE135B, ILE162B, ILE97B, LEU104B, LEU105B, LEU105C, LEU113B, LEU113C, LEU121C, LEU133B, LEU151B, LEU152B, LEU155B, LEU159B, LEU74B, LYS114C, LYS156B, LYS160B, LYS163B, LYS94C, MET108B, MET108C, MET109B, MET109C, MET120C, PHE106B, PHE106C, PHE118C, PHE83C, PRO102B, PRO102C, PRO117C, PRO153B, PRO85C, PRO90C, SER122C, SER124C, SER131B, THR101B, THR116C, THR81C, THR84C, THR89C, VAL107B, VAL107C, VAL56C, VAL88C
• C-D: ARG25D, GLU71C
• C-F: GLU39C, GLU39F, GLU5C, GLU5F, GLY42C, GLY42F, HIS157C, HIS157F, LYS156C, LYS156F, LYS160C, LYS160F, LYS163C, LYS163F, TYR6C, TYR6F
• D-E: ALA119E, ALA125E, ALA126D, ALA150D, ALA154D, ALA158D, ARG123E, ARG86E, ARG99D, ASP87E, CYS147D, GLN110D, GLN110E, GLN161D, GLU100D, GLU111D, GLU111E, GLU149D, GLU91E, GLU98D, GLY103D, GLY103E, GLY127D, GLY130D, GLY80E, GLY82E, HIS157D, ILE128D, ILE134D, ILE135D, ILE162D, ILE97D, LEU104D, LEU105D, LEU105E, LEU113D, LEU113E, LEU121E, LEU133D, LEU151D, LEU152D, LEU155D, LEU159D, LEU74D, LYS114E, LYS156D, LYS160D, LYS163D, LYS94E, MET108D, MET108E, MET109D, MET109E, MET120E, PHE106D, PHE106E, PHE118E, PHE83E, PRO102D, PRO102E, PRO117E, PRO153D, PRO85E, PRO90E, SER122E, SER124E, SER131D, THR101D, THR116E, THR81E, THR84E, THR89E, VAL107D, VAL107E, VAL56E, VAL88E
• D-F: ALA119D, ALA125D, ALA126F, ALA150F, ALA154F, ALA158F, ARG123D, ARG86D, ARG99F, ASP87D, GLN110D, GLN110F, GLN161F, GLU100F, GLU111D, GLU111F, GLU149F, GLU91D, GLU98F, GLY103D, GLY103F, GLY127F, GLY130F, GLY80D, GLY82D, HIS157F, ILE128F, ILE134F, ILE135F, ILE162F, ILE97F, LEU104F, LEU105D, LEU105F, LEU113D, LEU113F, LEU121D, LEU133F, LEU151F, LEU152F, LEU155F, LEU159F, LEU74F, LYS114D, LYS156F, LYS160F, LYS163F, LYS94D, MET108D, MET108F, MET109D, MET109F, MET120D, PHE106D, PHE106F, PHE118D, PHE83D, PRO102D, PRO102F, PRO117D, PRO153F, PRO85D, PRO90D, SER122D, SER124D, SER131F, THR101F, THR116D, THR81D, THR84D, THR89D, VAL107D, VAL107F, VAL56D, VAL88D
• E-F: ALA119F, ALA125F, ALA126E, ALA150E, ALA154E, ALA158E, ARG123F, ARG86F, ARG99E, ASP87F, CYS147E, GLN110E, GLN110F, GLN161E, GLU100E, GLU111E, GLU111F, GLU149E, GLU91F, GLU98E, GLY103E, GLY103F, GLY127E, GLY130E, GLY80F, GLY82F, HIS157E, ILE128E, ILE134E, ILE135E, ILE162E, ILE97E, LEU104E, LEU105E, LEU105F, LEU113E, LEU113F, LEU121F, LEU133E, LEU151E, LEU152E, LEU155E, LEU159E, LEU74E, LYS114F, LYS156E, LYS160E, LYS163E, LYS94F, MET108E, MET108F, MET109E, MET109F, MET120F, PHE106E, PHE106F, PHE118F, PHE83F, PRO102E, PRO102F, PRO117F, PRO153E, PRO85F, PRO90F, SER122F, SER124F, SER131E, THR101E, THR116F, THR81F, THR84F, THR89F, VAL107E, VAL107F, VAL56F, VAL88F
• F-G: ALA19F, ALA19G, ALA21F, ALA21G, ALA30F, ALA30G, ALA48F, ALA48G, ALA50F, ALA50G, ALA9F, ALA9G, ARG25F, ARG25G, ARG29F, ARG29G, ARG58F, ARG58G, ASN142F, ASN142G, ASP24F, ASP24G, ASP35F, ASP35G, ASP70F, ASP70G, GLY20F, GLY20G, GLY22F, GLY22G, GLY27F, GLY27G, ILE10F, ILE10G, ILE62F, ILE62G, LYS45F, LYS45G, LYS65F, LYS65G, LYS7F, LYS7G, MET72F, MET72G, PRO141F, PRO141G, PRO23F, PRO23G, PRO28F, PRO28G, PRO53F, PRO53G, SER18F, SER18G, SER26F, SER26G, SER32F, SER32G, SER36F, SER36G, SER38G, THR12F, THR12G, THR49F, THR49G, TRP66F, TRP66G, VAL17F, VAL17G, VAL31F, VAL31G, VAL33F, VAL33G, VAL34F, VAL34G, VAL46F, VAL46G, VAL47F, VAL47G, VAL51F, VAL51G, VAL52F, VAL52G, VAL69F, VAL69G, VAL8F, VAL8G
• F-H: ASP68F, ASP68H, ASP70F, ASP70H, GLU71F, GLU71H, LYS65F, LYS65H, LYS7H, SER67F, SER67H, VAL69F, VAL69H