2AP9

crystal structure of acetylglutamate kinase from mycobacterium tuberculosis cdc1551

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 123
  • Norm. En. per Res.: -4.2901
• 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-C	0.0	56.0521	-344.903	-288.8509	120	10	26	16029	0	32	29
A-F	-115.5896	-92.1716	-309.602	-517.3633	125	28	4	12299	10	33	24
B-C	-98.3206	-85.9946	-308.749	-493.0642	126	22	3	12000	10	32	24
B-E	-5.141	21.0938	-340.368	-324.4153	118	9	25	15879	1	29	30
D-E	-94.4361	-112.3865	-320.862	-527.6846	123	22	3	12119	14	34	21
D-F	0.0	19.5004	-363.004	-343.5036	122	12	29	16665	0	31	30

Interface residues

• A-C: ALA121A, ALA121C, ALA15A, ALA15C, ALA19A, ALA19C, ALA21A, ALA21C, ALA287A, ALA287C, ALA50A, ALA50C, ALA52A, ALA52C, ALA53A, ALA53C, ALA56A, ALA56C, ARG49C, ARG59A, ARG59C, ASN120C, ASN60A, ASN60C, ASP286A, ASP286C, ASP54A, ASP54C, CYS278A, CYS278C, CYS61A, CYS61C, GLN16A, GLN16C, GLN27A, GLN27C, GLU20A, GLU20C, GLU282A, GLU282C, GLU7A, GLU7C, GLY123A, GLY123C, GLY174A, GLY174C, GLY288A, GLY288C, GLY30A, GLY30C, GLY62A, GLY62C, HIS122A, HIS122C, HIS12A, HIS12C, HIS277A, HIS277C, HIS29A, HIS29C, HIS64A, HIS64C, ILE119A, ILE119C, ILE13A, ILE13C, ILE63A, ILE63C, ILE6A, ILE6C, LEU18A, LEU18C, LEU22A, LEU22C, LEU25A, LEU25C, LEU280A, LEU280C, LEU283A, LEU283C, LEU28A, LEU28C, LEU58A, LEU58C, LEU9A, LEU9C, LYS14A, LYS14C, LYS26A, LYS26C, PHE284A, PHE284C, PHE57A, PHE57C, PRO10A, PRO10C, PRO124A, PRO124C, PRO23A, PRO23C, THR11A, THR11C, THR276A, THR276C, THR285A, THR285C, THR289A, THR289C, TRP24A, TRP24C, TYR125A, TYR125C, VAL17A, VAL17C, VAL275A, VAL275C, VAL279A, VAL279C, VAL281A, VAL281C
• A-F: ALA103A, ALA103F, ALA121A, ALA121F, ALA126A, ALA126F, ALA134A, ALA134F, ALA165A, ALA165F, ALA166A, ALA166F, ALA173A, ALA173F, ALA183A, ALA183F, ALA77A, ARG104A, ARG104F, ARG113A, ARG113F, ARG175A, ARG175F, ARG48A, ARG48F, ARG80A, ARG81A, ARG81F, ASN117A, ASN117F, ASN120A, ASN120F, ASN163A, ASN163F, ASP101A, ASP101F, ASP133A, ASP133F, ASP169A, ASP169F, ASP187A, ASP187F, GLN110A, GLN110F, GLN135A, GLN135F, GLU114A, GLU114F, GLU132A, GLU132F, GLU98A, GLU98F, GLY109A, GLY109F, GLY112A, GLY112F, GLY123A, GLY123F, GLY128A, GLY128F, GLY131A, GLY131F, GLY174F, GLY188A, GLY188F, GLY83A, GLY83F, HIS122A, HIS122F, ILE119A, ILE119F, ILE129A, ILE129F, ILE176A, ILE176F, ILE84A, ILE84F, LEU100A, LEU100F, LEU107A, LEU107F, LEU115A, LEU115F, LEU136A, LEU136F, LEU170A, LEU170F, LEU182A, LEU182F, LEU79A, LEU79F, LEU82A, LEU82F, PHE108A, PHE108F, PRO124A, PRO124F, PRO177A, PRO177F, PRO184A, PRO184F, SER180A, SER180F, THR130A, THR130F, THR138A, TYR125A, TYR125F, VAL102A, VAL102F, VAL106A, VAL106F, VAL111A, VAL111F, VAL116A, VAL116F, VAL127A, VAL127F, VAL178A, VAL178F, VAL189A, VAL189F, VAL190A, VAL190F, VAL99F
• B-C: ALA103B, ALA103C, ALA121B, ALA121C, ALA126B, ALA126C, ALA134B, ALA134C, ALA165B, ALA165C, ALA166B, ALA166C, ALA173B, ALA173C, ALA183B, ALA183C, ALA77B, ALA77C, ARG104B, ARG104C, ARG113B, ARG113C, ARG175B, ARG175C, ARG48B, ARG48C, ARG80B, ARG80C, ARG81B, ARG81C, ASN117B, ASN117C, ASN120B, ASN120C, ASN163B, ASN163C, ASP101B, ASP101C, ASP133B, ASP133C, ASP169B, ASP169C, ASP185B, ASP185C, ASP187B, ASP187C, GLN110B, GLN110C, GLN135B, GLN135C, GLU114B, GLU114C, GLU132B, GLU132C, GLU98B, GLU98C, GLY109B, GLY109C, GLY112B, GLY112C, GLY123B, GLY123C, GLY128B, GLY128C, GLY131B, GLY131C, GLY188B, GLY188C, GLY83B, GLY83C, HIS122B, HIS122C, ILE119B, ILE119C, ILE129B, ILE129C, ILE176B, ILE176C, ILE84B, ILE84C, LEU100B, LEU100C, LEU107B, LEU107C, LEU115B, LEU115C, LEU136B, LEU136C, LEU170B, LEU170C, LEU182B, LEU182C, LEU79B, LEU79C, LEU82B, LEU82C, PHE108B, PHE108C, PRO124B, PRO124C, PRO177B, PRO177C, PRO184B, PRO184C, SER180B, SER180C, THR130B, THR130C, TYR125B, TYR125C, VAL102B, VAL102C, VAL106B, VAL106C, VAL111B, VAL111C, VAL116B, VAL116C, VAL127B, VAL127C, VAL178B, VAL178C, VAL189B, VAL189C, VAL190B, VAL190C
• B-E: ALA121B, ALA121E, ALA15B, ALA15E, ALA19B, ALA19E, ALA21B, ALA21E, ALA287B, ALA287E, ALA50B, ALA50E, ALA52B, ALA52E, ALA53B, ALA53E, ALA56B, ALA56E, ARG59B, ARG59E, ASN60B, ASN60E, ASP286B, ASP286E, ASP54B, ASP54E, CYS278B, CYS278E, CYS61B, CYS61E, GLN16B, GLN16E, GLN27B, GLN27E, GLU20B, GLU20E, GLU282B, GLU282E, GLU7B, GLU7E, GLY123B, GLY123E, GLY174B, GLY174E, GLY288B, GLY288E, GLY30B, GLY30E, GLY62B, GLY62E, HIS122B, HIS122E, HIS12B, HIS12E, HIS277B, HIS277E, HIS29B, HIS29E, HIS64B, HIS64E, ILE119B, ILE119E, ILE13B, ILE13E, ILE63B, ILE63E, ILE6B, ILE6E, LEU18B, LEU18E, LEU22B, LEU22E, LEU25B, LEU25E, LEU280B, LEU280E, LEU283B, LEU283E, LEU28B, LEU28E, LEU58B, LEU58E, LEU9B, LEU9E, LYS14B, LYS14E, LYS26B, LYS26E, PHE284B, PHE284E, PHE57B, PHE57E, PRO10B, PRO10E, PRO124B, PRO124E, PRO23B, PRO23E, THR11B, THR11E, THR276B, THR276E, THR285B, THR285E, THR289B, THR289E, TRP24B, TRP24E, TYR125B, TYR125E, VAL17B, VAL17E, VAL275B, VAL275E, VAL279B, VAL279E, VAL281B, VAL281E
• D-E: ALA103D, ALA103E, ALA121D, ALA121E, ALA126D, ALA126E, ALA134D, ALA134E, ALA165D, ALA165E, ALA166D, ALA166E, ALA173D, ALA173E, ALA183D, ALA183E, ALA77D, ARG104D, ARG104E, ARG113D, ARG113E, ARG175D, ARG175E, ARG48D, ARG48E, ARG80D, ARG81D, ARG81E, ASN117D, ASN117E, ASN120D, ASN120E, ASN163D, ASN163E, ASP101D, ASP101E, ASP133D, ASP133E, ASP169D, ASP169E, ASP185D, ASP185E, ASP187D, GLN110D, GLN110E, GLN135D, GLN135E, GLU114D, GLU114E, GLU132D, GLU132E, GLU98D, GLU98E, GLY109D, GLY109E, GLY112D, GLY112E, GLY123D, GLY123E, GLY128D, GLY128E, GLY131D, GLY131E, GLY188D, GLY188E, GLY83D, GLY83E, HIS122D, HIS122E, ILE119D, ILE119E, ILE129D, ILE129E, ILE176D, ILE176E, ILE84D, ILE84E, LEU100D, LEU100E, LEU107D, LEU107E, LEU115D, LEU115E, LEU118D, LEU118E, LEU136D, LEU136E, LEU170D, LEU170E, LEU182D, LEU182E, LEU79D, LEU79E, LEU82D, LEU82E, PHE108D, PHE108E, PRO124D, PRO124E, PRO184D, PRO184E, SER180D, SER180E, THR130D, THR130E, TYR125D, TYR125E, VAL102D, VAL102E, VAL106D, VAL106E, VAL111D, VAL111E, VAL116D, VAL116E, VAL127D, VAL127E, VAL178D, VAL178E, VAL189D, VAL189E, VAL190D, VAL190E
• D-F: ALA121D, ALA121F, ALA15D, ALA15F, ALA19D, ALA19F, ALA21D, ALA21F, ALA287D, ALA287F, ALA50D, ALA50F, ALA52D, ALA52F, ALA53D, ALA53F, ALA56D, ALA56F, ALA8D, ARG49F, ARG59D, ARG59F, ASN120F, ASN60D, ASN60F, ASP286D, ASP286F, ASP54D, ASP54F, CYS278D, CYS278F, CYS61D, CYS61F, GLN16D, GLN16F, GLN27D, GLN27F, GLU20D, GLU20F, GLU282D, GLU282F, GLU7D, GLU7F, GLY123D, GLY123F, GLY174D, GLY174F, GLY288D, GLY288F, GLY30D, GLY30F, GLY62D, GLY62F, HIS122D, HIS122F, HIS12D, HIS12F, HIS277D, HIS277F, HIS29D, HIS29F, HIS64D, HIS64F, ILE119D, ILE119F, ILE13D, ILE13F, ILE63D, ILE63F, ILE6D, ILE6F, LEU18D, LEU18F, LEU22D, LEU22F, LEU25D, LEU25F, LEU280D, LEU280F, LEU283D, LEU283F, LEU28D, LEU28F, LEU58D, LEU58F, LEU9D, LEU9F, LYS14D, LYS14F, LYS26D, LYS26F, PHE284D, PHE284F, PHE57D, PHE57F, PRO10D, PRO10F, PRO124D, PRO124F, PRO23D, PRO23F, THR11D, THR11F, THR276D, THR276F, THR285D, THR285F, THR289D, THR289F, THR46F, TRP24D, TRP24F, TYR125D, TYR125F, VAL17D, VAL17F, VAL275D, VAL275F, VAL279D, VAL279F, VAL281D, VAL281F