1WUQ

structure of gtp cyclohydrolase i complexed with 8-oxo-gtp

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 109
  • Norm. En. per Res.: -4.2549
• 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	-104.9586	-51.7335	-306.453	-463.145	111	18	2	12199	5	41	56
A-C	0.0	0.0	-0.0547	-0.0547	4	0	0	14	0	1	4
A-D	0.0	0.0	-0.0737	-0.0737	6	0	0	22	0	1	3
A-E	-109.9212	-55.8629	-297.995	-463.7791	109	15	2	12035	5	40	56
B-C	-115.6825	-41.985	-298.386	-456.0535	111	18	2	12187	6	41	55
B-D	0.0	0.0	-0.0466	-0.0466	4	0	0	18	0	1	3
B-E	0.0	0.0	-0.0952	-0.0952	6	0	0	32	0	1	3
C-D	-107.9171	-52.3343	-285.897	-446.1484	111	14	2	11757	5	41	54
C-E	0.0	0.0	-0.071	-0.071	2	0	0	16	0	1	3
D-E	-112.6982	-41.1262	-292.966	-446.7904	110	13	2	11974	6	41	56

Interface residues

• A-B: ALA136B, ALA143B, ALA153A, ALA157A, ALA196A, ALA87B, ALA91B, ARG137B, ARG144B, ARG151A, ARG183A, ARG191A, ARG202A, ARG208A, ARG216A, ARG216B, ASN204B, ASP140B, CYS108A, CYS179A, GLN147A, GLN149A, GLN155A, GLN188A, GLN205A, GLN205B, GLU103B, GLU109A, GLU150A, GLU158A, GLU174A, GLU186A, GLU209A, GLU209B, GLU210B, GLU92B, GLU95B, GLY101B, GLY117B, GLY122B, GLY131B, GLY170A, GLY175A, GLY184A, GLY93B, HIS110A, HIS111A, HIS120A, HIS120B, HIS177A, HIS189A, HIS214B, ILE121B, ILE124B, ILE129B, ILE138B, LEU130B, LEU132B, LEU152A, LEU198A, LEU212A, LEU212B, LEU215A, LEU215B, LYS100B, LYS118B, LYS134B, LYS187A, LYS206A, LYS206B, MET141B, MET180A, MET181A, MET197A, MET96B, PHE104B, PHE115A, PHE135B, PHE201A, PHE211A, PHE211B, PHE89B, PRO125B, PRO90B, SER133B, SER190A, SER195A, SER213A, SER213B, SER94B, THR192A, THR194A, THR207B, TYR105B, TYR123B, VAL102B, VAL119B, VAL139B, VAL148A, VAL154A, VAL171A, VAL172A, VAL173A, VAL176A, VAL185A, VAL193A, VAL83B, VAL88B, VAL97B, VAL98B, VAL99B
• A-C: ARG216A, ARG216C, LYS206A, LYS206C
• A-D: ARG216A, ARG216D, GLU209A, GLU209D, LYS206A, LYS206D
• A-E: ALA136A, ALA143A, ALA153E, ALA157E, ALA196E, ALA87A, ALA91A, ARG137A, ARG144A, ARG151E, ARG183E, ARG191E, ARG202E, ARG208E, ARG216A, ARG216E, ASN204A, ASP140A, CYS108E, CYS179E, GLN147E, GLN149E, GLN155E, GLN188E, GLN205A, GLN205E, GLU103A, GLU109E, GLU150E, GLU158E, GLU174E, GLU186E, GLU209A, GLU209E, GLU210A, GLU92A, GLU95A, GLY101A, GLY117A, GLY122A, GLY131A, GLY170E, GLY175E, GLY184E, GLY93A, HIS110E, HIS111E, HIS120A, HIS120E, HIS177E, HIS189E, HIS214A, ILE121A, ILE129A, ILE138A, LEU130A, LEU132A, LEU152E, LEU198E, LEU212A, LEU212E, LEU215A, LEU215E, LYS100A, LYS118A, LYS134A, LYS187E, LYS206A, LYS206E, MET141A, MET180E, MET181E, MET197E, MET96A, PHE104A, PHE115E, PHE135A, PHE201E, PHE211A, PHE211E, PHE89A, PRO125A, PRO90A, SER133A, SER190E, SER195E, SER213A, SER213E, SER94A, THR192E, THR194E, THR207A, TYR105A, TYR123A, VAL102A, VAL119A, VAL139A, VAL148E, VAL154E, VAL171E, VAL172E, VAL173E, VAL176E, VAL185E, VAL193E, VAL83A, VAL97A, VAL98A, VAL99A
• B-C: ALA136C, ALA143C, ALA153B, ALA157B, ALA196B, ALA87C, ALA91C, ARG137C, ARG144C, ARG151B, ARG183B, ARG191B, ARG202B, ARG208B, ARG216B, ARG216C, ASN204C, ASP140C, CYS108B, CYS179B, GLN147B, GLN149B, GLN155B, GLN188B, GLN205B, GLN205C, GLU103C, GLU109B, GLU150B, GLU158B, GLU174B, GLU186B, GLU209B, GLU209C, GLU210C, GLU92C, GLU95C, GLY101C, GLY117C, GLY122C, GLY131C, GLY170B, GLY175B, GLY184B, GLY93C, HIS110B, HIS111B, HIS120B, HIS120C, HIS177B, HIS189B, HIS214C, ILE121C, ILE124C, ILE129C, ILE138C, LEU130C, LEU132C, LEU152B, LEU198B, LEU212B, LEU212C, LEU215B, LEU215C, LYS100C, LYS118C, LYS134C, LYS187B, LYS206B, LYS206C, MET141C, MET180B, MET181B, MET197B, MET96C, PHE104C, PHE115B, PHE135C, PHE201B, PHE211B, PHE211C, PHE89C, PRO125C, PRO90C, SER133C, SER190B, SER195B, SER213B, SER213C, SER94C, THR192B, THR194B, THR207C, TYR105C, TYR123C, VAL102C, VAL119C, VAL139C, VAL148B, VAL154B, VAL171B, VAL172B, VAL173B, VAL176B, VAL185B, VAL193B, VAL83C, VAL88C, VAL97C, VAL98C, VAL99C
• B-D: ARG216B, ARG216D, LYS206B, LYS206D
• B-E: ARG216B, ARG216E, GLU209B, GLU209E, LYS206B, LYS206E
• C-D: ALA136D, ALA143D, ALA153C, ALA157C, ALA196C, ALA87D, ALA91D, ARG137D, ARG144D, ARG151C, ARG183C, ARG191C, ARG202C, ARG208C, ARG216C, ARG216D, ASN204D, ASP140D, CYS108C, CYS179C, GLN147C, GLN149C, GLN155C, GLN188C, GLN205C, GLN205D, GLU103D, GLU109C, GLU150C, GLU158C, GLU174C, GLU186C, GLU209C, GLU209D, GLU210D, GLU92D, GLU95D, GLY101D, GLY117D, GLY122D, GLY131D, GLY170C, GLY175C, GLY184C, GLY93D, HIS110C, HIS111C, HIS120C, HIS120D, HIS177C, HIS189C, HIS214D, ILE121D, ILE124D, ILE129D, ILE138D, LEU130D, LEU132D, LEU152C, LEU198C, LEU212C, LEU212D, LEU215C, LEU215D, LYS100D, LYS118D, LYS134D, LYS187C, LYS206C, LYS206D, MET141D, MET180C, MET181C, MET197C, MET96D, PHE104D, PHE115C, PHE135D, PHE201C, PHE211C, PHE211D, PHE89D, PRO125D, PRO90D, SER133D, SER190C, SER195C, SER213C, SER213D, SER94D, THR192C, THR194C, THR207D, TYR105D, TYR123D, VAL102D, VAL119D, VAL139D, VAL148C, VAL154C, VAL171C, VAL172C, VAL173C, VAL176C, VAL185C, VAL193C, VAL83D, VAL88D, VAL97D, VAL98D, VAL99D
• C-E: ARG216C, ARG216E
• D-E: ALA136E, ALA143E, ALA153D, ALA196D, ALA87E, ALA91E, ARG137E, ARG144E, ARG151D, ARG183D, ARG191D, ARG202D, ARG208D, ARG216D, ARG216E, ASN204E, ASP140E, CYS108D, CYS179D, GLN147D, GLN149D, GLN155D, GLN188D, GLN205D, GLN205E, GLU103E, GLU109D, GLU150D, GLU158D, GLU174D, GLU186D, GLU209D, GLU209E, GLU210E, GLU92E, GLU95E, GLY101E, GLY117E, GLY122E, GLY131E, GLY170D, GLY175D, GLY184D, GLY93E, HIS110D, HIS111D, HIS120D, HIS120E, HIS177D, HIS189D, HIS214E, ILE121E, ILE129E, ILE138E, LEU130E, LEU132E, LEU152D, LEU198D, LEU212D, LEU212E, LEU215D, LEU215E, LYS100E, LYS118E, LYS134E, LYS187D, LYS206D, LYS206E, MET141E, MET180D, MET181D, MET197D, MET96E, PHE104E, PHE115D, PHE116E, PHE135E, PHE201D, PHE211D, PHE211E, PHE89E, PRO125E, PRO90E, SER133E, SER190D, SER195D, SER213D, SER213E, SER94E, THR192D, THR194D, THR207E, TYR105E, TYR123E, VAL102E, VAL119E, VAL139E, VAL148D, VAL154D, VAL171D, VAL172D, VAL173D, VAL176D, VAL185D, VAL193D, VAL83E, VAL88E, VAL97E, VAL98E, VAL99E