1QPR

quinolinate phosphoribosyltransferase (qaprtase) from mycobacterium tuberculosis in complex with phthalate and prpcp

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 246
  • Norm. En. per Res.: -3.6321
• 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	-91.288	-108.3668	-675.906	-875.5607	245	32	28	28770	8	94	91
A-C	0.0	0.0	-69.0195	-69.0195	33	3	0	2727	0	4	5
A-D	0.0	22.7504	-0.3629	22.3876	22	0	0	120	0	3	18
A-E	0.0	0.0	-69.6879	-69.6879	33	3	0	2719	0	4	6
B-D	0.0	0.0	-55.2619	-55.2619	30	0	0	2356	0	3	5
B-E	0.0	23.0665	-0.4851	22.5814	22	0	0	148	0	4	19
B-F	0.0	0.0	-63.7669	-63.7669	30	0	0	2494	0	3	5
C-D	-81.5257	-132.0851	-679.885	-893.4958	246	41	30	29210	8	93	92
C-E	0.0	0.0	-67.6962	-67.6962	30	0	0	2575	0	3	5
C-F	0.0	6.7995	-0.0451	6.7545	15	0	0	28	0	0	13
D-F	0.0	0.0	-63.3496	-63.3496	31	0	0	2499	0	3	5
E-F	-75.4658	-124.8901	-669.49	-869.8458	242	45	29	28969	8	94	92

Interface residues

• A-B: ALA103A, ALA103B, ALA10A, ALA10B, ALA11A, ALA11B, ALA13A, ALA13B, ALA147A, ALA147B, ALA14A, ALA14B, ALA168A, ALA168B, ALA169A, ALA169B, ALA16A, ALA16B, ALA177A, ALA177B, ALA178A, ALA178B, ALA179A, ALA179B, ALA185A, ALA185B, ALA188A, ALA188B, ALA192A, ALA192B, ALA193A, ALA193B, ALA271A, ALA271B, ALA33A, ALA33B, ALA39A, ALA39B, ALA43A, ALA43B, ALA9A, ALA9B, ARG105A, ARG105B, ARG139A, ARG139B, ARG146A, ARG146B, ARG162A, ARG162B, ARG17A, ARG17B, ARG187A, ARG187B, ARG190A, ARG190B, ARG24A, ARG24B, ARG277A, ARG277B, ARG48A, ARG48B, ARG98A, ARG98B, ASN109A, ASN109B, ASN174A, ASN174B, ASN191A, ASN191B, ASN223A, ASN223B, ASP167A, ASP167B, ASP173A, ASP173B, ASP184A, ASP184B, ASP195A, ASP195B, ASP20A, ASP20B, ASP222A, ASP222B, ASP22A, ASP22B, ASP280A, ASP280B, ASP284A, ASP284B, ASP28A, ASP28B, ASP5A, ASP5B, CYS198A, CYS198B, GLN149A, GLN149B, GLU104A, GLU104B, GLU199A, GLU199B, GLU21A, GLU21B, GLU49A, GLU49B, GLY112A, GLY112B, GLY116A, GLY116B, GLY144A, GLY144B, GLY164A, GLY164B, GLY166A, GLY166B, GLY180A, GLY180B, GLY18A, GLY18B, GLY249A, GLY249B, GLY26A, GLY26B, GLY270A, GLY270B, GLY282A, GLY282B, HIS113A, HIS113B, HIS175A, HIS175B, HIS274A, HIS274B, ILE117A, ILE117B, ILE15A, ILE15B, ILE171A, ILE171B, ILE281A, ILE281B, LEU100A, LEU100B, LEU101A, LEU101B, LEU108A, LEU108B, LEU110A, LEU110B, LEU114A, LEU114B, LEU142A, LEU142B, LEU145A, LEU145B, LEU148A, LEU148B, LEU163A, LEU163B, LEU165A, LEU165B, LEU170A, LEU170B, LEU186A, LEU186B, LEU196A, LEU196B, LEU19A, LEU19B, LEU23A, LEU23B, LEU279A, LEU279B, LEU283A, LEU283B, LEU32A, LEU32B, LYS140A, LYS140B, LYS150A, LYS150B, LYS172A, LYS172B, MET107A, MET107B, MET285A, MET285B, PRO143A, PRO143B, PRO194A, PRO194B, PRO197A, PRO197B, PRO27A, PRO27B, PRO36A, PRO36B, SER181A, SER181B, SER275A, SER275B, SER44A, SER44B, THR102A, THR102B, THR106A, THR106B, THR138A, THR138B, THR141A, THR141B, THR273A, THR273B, THR30A, THR30B, THR31A, THR31B, THR34A, THR34B, THR41A, THR41B, THR97A, THR97B, TRP6A, TRP6B, TYR25A, TYR25B, VAL111B, VAL176A, VAL176B, VAL182A, VAL182B, VAL189A, VAL189B, VAL276A, VAL276B, VAL278A, VAL278B, VAL29A, VAL29B, VAL35A, VAL35B, VAL58A, VAL58B
• A-C: ALA225A, ALA232A, ALA50C, ALA89C, ARG235A, ARG239A, ARG48C, ASP209A, ASP280C, ASP284C, GLN228A, GLN230A, GLN234A, GLU206A, GLU261A, GLU49C, GLU88C, GLY282C, GLY87C, LEU205A, MET285C, PRO85C, PRO86C, SER44C, THR229A, THR231A, THR258A, THR262A, THR47C, TRP227A, TYR259A, VAL226A, VAL46C
• A-D: ALA177A, ALA177D, ALA225A, ALA225D, ASN223A, ASN223D, ASP173A, ASP173D, ASP203A, ASP203D, GLN207A, GLN207D, GLN228A, GLN228D, GLU206A, GLU206D, SER204A, SER204D, TRP227A, TRP227D, VAL176A, VAL176D
• A-E: ALA225E, ALA232E, ALA50A, ALA89A, ARG235E, ARG239E, ARG48A, ASP209E, ASP280A, ASP284A, GLN228E, GLN230E, GLN234E, GLU206E, GLU261E, GLU49A, GLU88A, GLY282A, GLY87A, LEU205E, MET285A, PRO85A, PRO86A, SER44A, THR229E, THR231E, THR258E, THR262E, THR47A, TRP227E, TYR259E, VAL226E, VAL46A
• B-D: ALA225D, ALA232D, ALA50B, ALA89B, ARG235D, ARG48B, ASP280B, ASP284B, GLN228D, GLN230D, GLN234D, GLU206D, GLU261D, GLU49B, GLU88B, GLY282B, GLY87B, LEU205D, MET285B, PRO85B, PRO86B, SER44B, THR229D, THR231D, THR258D, THR262D, THR47B, TRP227D, VAL226D, VAL46B
• B-E: ALA177B, ALA177E, ALA225B, ALA225E, ASN223B, ASN223E, ASP173B, ASP173E, ASP203B, ASP203E, GLN207B, GLN207E, GLN228B, GLN228E, GLU206B, GLU206E, SER204B, SER204E, TRP227B, TRP227E, VAL176B, VAL176E
• B-F: ALA225B, ALA232B, ALA50F, ALA89F, ARG235B, ARG48F, ASP280F, ASP284F, GLN228B, GLN230B, GLN234B, GLU206B, GLU261B, GLU49F, GLU88F, GLY282F, GLY87F, LEU205B, MET285F, PRO85F, PRO86F, SER44F, THR229B, THR231B, THR258B, THR262B, THR47F, TRP227B, VAL226B, VAL46F
• C-D: ALA103C, ALA103D, ALA10C, ALA10D, ALA11C, ALA11D, ALA13C, ALA13D, ALA147C, ALA147D, ALA14C, ALA14D, ALA168C, ALA168D, ALA169C, ALA169D, ALA16C, ALA16D, ALA177C, ALA177D, ALA178C, ALA178D, ALA179C, ALA179D, ALA185C, ALA185D, ALA188C, ALA188D, ALA192C, ALA192D, ALA193C, ALA193D, ALA271C, ALA271D, ALA33C, ALA33D, ALA39C, ALA39D, ALA43C, ALA43D, ALA9C, ALA9D, ARG105C, ARG105D, ARG139C, ARG139D, ARG146C, ARG146D, ARG162C, ARG162D, ARG17C, ARG17D, ARG187C, ARG187D, ARG190C, ARG190D, ARG24C, ARG24D, ARG277C, ARG277D, ARG48C, ARG48D, ARG98C, ARG98D, ASN109C, ASN109D, ASN174C, ASN174D, ASN191C, ASN191D, ASN223C, ASN223D, ASP167C, ASP167D, ASP173C, ASP173D, ASP184C, ASP184D, ASP195C, ASP195D, ASP20C, ASP20D, ASP222C, ASP222D, ASP22C, ASP22D, ASP280C, ASP280D, ASP284C, ASP284D, ASP28C, ASP28D, ASP5C, ASP5D, CYS198C, CYS198D, GLN149C, GLN149D, GLU104C, GLU104D, GLU199C, GLU199D, GLU21C, GLU21D, GLU49C, GLU49D, GLU7C, GLU7D, GLY112C, GLY112D, GLY116C, GLY116D, GLY144C, GLY144D, GLY164C, GLY164D, GLY166C, GLY166D, GLY180C, GLY180D, GLY18C, GLY18D, GLY26C, GLY26D, GLY270C, GLY270D, GLY282C, GLY282D, HIS113C, HIS113D, HIS175C, HIS175D, HIS274C, HIS274D, ILE117C, ILE117D, ILE15C, ILE15D, ILE171C, ILE171D, ILE281C, ILE281D, LEU100C, LEU100D, LEU101C, LEU101D, LEU108C, LEU108D, LEU110C, LEU110D, LEU114C, LEU114D, LEU142C, LEU142D, LEU145C, LEU145D, LEU148C, LEU148D, LEU163C, LEU163D, LEU165C, LEU165D, LEU170C, LEU170D, LEU186C, LEU186D, LEU196C, LEU196D, LEU19C, LEU19D, LEU23C, LEU23D, LEU279C, LEU279D, LEU283C, LEU283D, LEU32C, LEU32D, LYS140C, LYS140D, LYS150C, LYS150D, LYS172C, LYS172D, MET107C, MET107D, MET285C, MET285D, PRO143C, PRO143D, PRO194C, PRO194D, PRO197C, PRO197D, PRO27C, PRO27D, PRO36C, PRO36D, SER181C, SER181D, SER275C, SER275D, SER44C, SER44D, THR102C, THR102D, THR106C, THR106D, THR138C, THR138D, THR141C, THR141D, THR273C, THR273D, THR30C, THR30D, THR31C, THR31D, THR34C, THR34D, THR41C, THR41D, THR97C, THR97D, TRP6C, TRP6D, TYR25C, TYR25D, VAL111C, VAL176C, VAL176D, VAL182C, VAL182D, VAL189C, VAL189D, VAL200C, VAL276C, VAL276D, VAL278C, VAL278D, VAL29C, VAL29D, VAL35C, VAL35D, VAL58C, VAL58D
• C-E: ALA225C, ALA232C, ALA50E, ALA89E, ARG235C, ARG48E, ASP280E, ASP284E, GLN228C, GLN230C, GLN234C, GLU206C, GLU261C, GLU49E, GLU88E, GLY282E, GLY87E, LEU205C, MET285E, PRO85E, PRO86E, SER44E, THR229C, THR231C, THR258C, THR262C, THR47E, TRP227C, VAL226C, VAL46E
• C-F: ALA177C, ALA177F, ALA225F, ASN223C, ASN223F, ASP203C, ASP203F, GLN207C, GLN207F, GLU206C, GLU206F, SER204C, SER204F, TRP227C, TRP227F
• D-F: ALA225F, ALA232F, ALA50D, ALA89D, ARG235F, ARG48D, ASP280D, ASP284D, GLN228F, GLN230F, GLN234F, GLU206F, GLU261F, GLU49D, GLU88D, GLY282D, GLY87D, LEU205F, MET285D, PRO85D, PRO86D, SER44D, THR229F, THR231F, THR258F, THR262F, THR47D, TRP227F, VAL226F, VAL46D, VAL84D
• E-F: ALA103E, ALA103F, ALA10E, ALA10F, ALA11E, ALA11F, ALA13E, ALA13F, ALA147E, ALA147F, ALA14E, ALA14F, ALA168E, ALA168F, ALA169E, ALA169F, ALA16E, ALA16F, ALA177E, ALA177F, ALA178E, ALA178F, ALA179E, ALA179F, ALA185E, ALA185F, ALA188E, ALA188F, ALA192E, ALA192F, ALA193E, ALA193F, ALA271E, ALA271F, ALA33E, ALA33F, ALA39E, ALA39F, ALA43E, ALA43F, ALA9E, ALA9F, ARG105E, ARG105F, ARG139E, ARG139F, ARG146E, ARG146F, ARG162E, ARG162F, ARG17E, ARG17F, ARG187E, ARG187F, ARG190E, ARG190F, ARG24E, ARG24F, ARG277E, ARG277F, ARG48E, ARG48F, ARG98E, ARG98F, ASN109E, ASN109F, ASN174E, ASN174F, ASN191E, ASN191F, ASN223E, ASN223F, ASP167E, ASP167F, ASP173E, ASP173F, ASP184E, ASP184F, ASP195E, ASP195F, ASP20E, ASP20F, ASP222E, ASP22E, ASP22F, ASP280E, ASP280F, ASP284E, ASP284F, ASP28E, ASP28F, ASP5E, ASP5F, CYS198E, CYS198F, GLN149E, GLN149F, GLU104E, GLU104F, GLU199E, GLU199F, GLU201E, GLU21E, GLU21F, GLU7E, GLU7F, GLY112E, GLY112F, GLY116E, GLY116F, GLY144E, GLY144F, GLY164E, GLY164F, GLY166E, GLY166F, GLY180E, GLY180F, GLY18E, GLY18F, GLY249E, GLY26E, GLY26F, GLY270E, GLY270F, GLY282E, GLY282F, HIS113E, HIS113F, HIS175E, HIS175F, HIS274E, HIS274F, ILE117E, ILE117F, ILE15E, ILE15F, ILE171E, ILE171F, ILE281E, ILE281F, LEU100E, LEU100F, LEU101E, LEU101F, LEU108E, LEU108F, LEU110E, LEU110F, LEU114E, LEU114F, LEU142E, LEU142F, LEU145E, LEU145F, LEU148E, LEU148F, LEU163E, LEU163F, LEU165E, LEU165F, LEU170E, LEU170F, LEU186E, LEU186F, LEU196E, LEU196F, LEU19E, LEU19F, LEU23E, LEU23F, LEU279E, LEU279F, LEU283E, LEU283F, LEU32E, LEU32F, LYS140E, LYS140F, LYS150E, LYS150F, LYS172E, LYS172F, MET107E, MET107F, MET285E, MET285F, PRO143E, PRO143F, PRO194E, PRO194F, PRO197E, PRO197F, PRO27E, PRO27F, PRO36E, PRO36F, SER181E, SER181F, SER275E, SER275F, SER44F, THR102E, THR102F, THR106E, THR106F, THR138E, THR138F, THR141E, THR141F, THR273E, THR273F, THR30E, THR30F, THR31E, THR31F, THR34E, THR34F, THR41E, THR41F, THR97E, THR97F, TRP6E, TRP6F, TYR25E, TYR25F, VAL176E, VAL176F, VAL182E, VAL182F, VAL189E, VAL189F, VAL276E, VAL276F, VAL278E, VAL278F, VAL29E, VAL29F, VAL35E, VAL35F, VAL58E, VAL58F