2AE8

crystal structure of imidazoleglycerol-phosphate dehydratase from staphylococcus aureus subsp. aureus n315

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 53
  • Norm. En. per Res.: -4.3705
• Hub Node: A(2)

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	-32.1322	-39.1283	-162.023	-233.2835	55	12	2	6031	4	19	17
A-C	-31.0348	-39.9632	-160.636	-231.634	53	10	2	5894	4	19	17
B-C	-33.15	-37.6488	-159.931	-230.7298	54	12	2	6007	4	19	17
B-F	-45.6133	6.9092	-123.874	-162.5781	48	9	0	3867	3	41	41
C-D	-31.7368	37.1364	-109.171	-103.7714	48	9	0	3809	2	45	44
C-F	-8.6805	-19.4561	-39.7896	-67.9262	43	0	0	2542	0	10	13
D-E	-15.4831	-36.1818	-152.377	-204.0419	52	9	2	5837	4	19	17
D-F	-20.6089	-39.8334	-154.543	-214.9853	53	12	2	5907	4	20	17
E-F	-23.6	-34.1499	-155.776	-213.5259	52	6	2	5887	4	19	17

Interface residues

• A-B: ALA101A, ALA117B, ALA163A, ARG102A, ARG102B, ARG110B, ARG153A, ARG170A, ARG88B, ASN116B, ASP106B, ASP150B, ASP97A, GLU162A, GLU98A, GLY154A, GLY155A, GLY90B, HIS148B, HIS159A, HIS44A, HIS85B, ILE107B, ILE149B, ILE152A, ILE152B, ILE174A, ILE94A, LEU100A, LEU113B, LEU145B, LEU151B, LEU40A, LYS166A, PHE115B, PHE43A, PHE86B, PRO111B, PRO95A, SER108B, SER114B, THR146B, THR147B, THR179B, THR91A, THR91B, THR99A, TYR112B, TYR89B, TYR93A, TYR93B, VAL103B, VAL104B, VAL105B, VAL87B
• A-C: ALA101C, ALA117A, ARG102A, ARG102C, ARG110A, ARG153C, ARG170C, ARG88A, ASN116A, ASP106A, ASP150A, ASP97C, GLU162C, GLU98C, GLY154C, GLY155C, GLY90A, HIS148A, HIS159C, HIS44C, ILE107A, ILE149A, ILE152A, ILE152C, ILE174C, ILE94C, LEU100C, LEU113A, LEU145A, LEU151A, LEU40C, LYS166C, PHE115A, PHE43C, PHE86A, PRO111A, PRO95C, SER108A, SER114A, THR146A, THR147A, THR179A, THR91A, THR91C, THR99C, TYR112A, TYR89A, TYR93A, TYR93C, VAL103A, VAL104A, VAL105A, VAL87A
• B-C: ALA101B, ALA117C, ALA175C, ARG102B, ARG102C, ARG110C, ARG153B, ARG170B, ARG88C, ASN116C, ASP106C, ASP150C, ASP97B, GLU162B, GLU98B, GLY154B, GLY155B, GLY90C, HIS148C, HIS159B, HIS44B, HIS85C, ILE107C, ILE149C, ILE152B, ILE152C, ILE174B, ILE94B, LEU100B, LEU113C, LEU145C, LEU151C, LEU40B, LYS166B, PHE115C, PHE43B, PHE86C, PRO111C, PRO95B, SER108C, SER114C, THR146C, THR147C, THR91B, THR91C, THR99B, TYR112C, TYR89C, TYR93B, TYR93C, VAL103C, VAL104C, VAL105C, VAL87C
• B-F: ALA138F, ARG137F, ASN156B, ASP128F, ASP61F, ASP97B, GLU122B, GLU122F, GLU130F, GLU133F, GLU134F, GLU160B, GLU162B, GLU66F, GLU98B, GLY125B, GLY155B, HIS158B, HIS159B, HIS36B, HIS3B, HIS3F, HIS62F, HIS63F, ILE161B, LEU119B, LEU119F, LEU131F, LEU40B, LYS121B, LYS121F, LYS123B, LYS123F, PHE127B, PHE127F, PHE135F, PHE33B, SER118F, SER120B, SER120F, THR126B, THR126F, THR129B, THR129F, THR157B, THR99B, VAL124B, VAL132F
• C-D: ALA138C, ARG137C, ASN156D, ASP128C, ASP128D, ASP60C, ASP61C, ASP97D, GLU122C, GLU122D, GLU130C, GLU133C, GLU134C, GLU160D, GLU162D, GLU66C, GLU98D, GLY125D, GLY155D, GLY32D, HIS158D, HIS159D, HIS36D, HIS62C, HIS63C, ILE161D, LEU119C, LEU131C, LEU40D, LYS121C, LYS121D, LYS123C, LYS123D, PHE127C, PHE127D, PHE135C, PHE33D, SER118C, SER120C, SER120D, THR126C, THR126D, THR129C, THR129D, THR157D, THR99D, VAL124D, VAL132C
• C-F: ALA138C, ALA138F, ALA143C, ALA143F, ARG110C, ARG110F, ARG137C, ARG137F, ARG144C, ARG144F, ARG7C, ARG7F, ASN142C, ASN142F, GLN74C, GLN74F, GLU133C, GLU133F, GLU134C, GLU134F, GLU66C, GLU66F, GLY109C, GLY109F, HIS62C, HIS62F, HIS63C, HIS63F, ILE141C, ILE141F, ILE70C, ILE70F, LEU113C, LEU113F, LEU77C, LEU77F, LYS81C, LYS81F, PRO111C, PRO111F, THR146F, TYR112C, TYR112F
• D-E: ALA101E, ALA117D, ARG102D, ARG102E, ARG110D, ARG153E, ARG170E, ARG88D, ASN116D, ASP106D, ASP150D, ASP97E, GLU162E, GLU98E, GLY154E, GLY90D, HIS148D, HIS159E, HIS44E, HIS85D, ILE107D, ILE149D, ILE152D, ILE152E, ILE174E, ILE94E, LEU100E, LEU113D, LEU145D, LEU151D, LEU40E, LYS166E, PHE115D, PHE43E, PHE86D, PRO111D, PRO95E, SER108D, SER114D, THR146D, THR147D, THR91D, THR91E, THR99E, TYR112D, TYR89D, TYR93D, TYR93E, VAL103D, VAL104D, VAL105D, VAL87D
• D-F: ALA101D, ALA117F, ARG102D, ARG102F, ARG110F, ARG153D, ARG170D, ARG88F, ASN116F, ASP106F, ASP150F, ASP97D, GLU162D, GLU98D, GLY154D, GLY155D, GLY90F, HIS148F, HIS159D, HIS44D, ILE107F, ILE149F, ILE152D, ILE152F, ILE174D, ILE94D, LEU100D, LEU113F, LEU145F, LEU151F, LEU40D, LYS166D, PHE115F, PHE43D, PHE86F, PRO111F, PRO95D, SER108F, SER114F, THR146F, THR147F, THR179F, THR91D, THR91F, THR99D, TYR112F, TYR89F, TYR93D, TYR93F, VAL103F, VAL104F, VAL105F, VAL87F
• E-F: ALA101F, ALA117E, ARG102E, ARG102F, ARG110E, ARG153F, ARG170F, ARG88E, ASN116E, ASP106E, ASP150E, ASP97F, GLU162F, GLU98F, GLY154F, GLY155F, GLY90E, HIS148E, HIS159F, HIS44F, ILE107E, ILE149E, ILE152E, ILE152F, ILE174F, ILE94F, LEU100F, LEU113E, LEU145E, LEU151E, LEU40F, LYS166F, PHE115E, PHE43F, PHE86E, PRO111E, PRO95F, SER108E, SER114E, THR146E, THR147E, THR91E, THR91F, THR99F, TYR112E, TYR89E, TYR93E, TYR93F, VAL103E, VAL104E, VAL105E, VAL87E