3LAR

crystal structure of human quinolinate phosphoribosyltransferase

• Total interactions analyzed: 15
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 224
  • Norm. En. per Res.: -3.338
• Hub Node: A(5)

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	-97.5392	-145.0548	-464.305	-706.8989	225	38	31	21692	10	57	54
A-C	-4.3339	0.0	-153.847	-158.1809	68	5	8	7257	0	3	2
A-D	0.0	0.0	-0.2966	-0.2966	6	0	0	75	0	2	2
A-E	-16.4566	0.0	-157.463	-173.9196	72	7	8	7410	0	2	2
A-F	-11.7303	-23.3883	-186.31	-221.4286	76	21	10	7409	4	22	21
B-C	0.0	-16.7388	-93.4295	-110.1683	67	19	5	4637	4	16	12
B-D	-11.2031	0.0	-142.62	-153.8231	63	8	7	6915	0	3	2
B-E	0.0	0.0	-1.2289	-1.2289	8	0	0	134	0	2	2
B-F	-16.0327	0.0	-156.133	-172.1657	69	6	10	7386	0	3	2
C-D	-105.4995	-144.4803	-497.723	-747.7028	224	48	29	22656	11	54	56
C-E	-17.6357	0.0	-143.022	-160.6577	64	10	8	6904	0	3	2
C-F	0.0	0.0	-0.8346	-0.8346	8	0	0	108	0	2	2
D-E	-2.7258	-7.0124	-63.8487	-73.5869	48	12	4	2530	0	11	6
D-F	-2.5018	0.0	-135.2	-137.7018	64	14	8	6764	0	3	2
E-F	-102.8286	-119.7721	-519.484	-742.0847	231	46	32	22645	8	57	54

Interface residues

• A-B: ALA104A, ALA104B, ALA109A, ALA109B, ALA177A, ALA177B, ALA178A, ALA178B, ALA184A, ALA184B, ALA187A, ALA187B, ALA188A, ALA188B, ALA191A, ALA191B, ALA192A, ALA192B, ALA195B, ALA275A, ALA275B, ALA276A, ALA276B, ALA278A, ALA278B, ALA287A, ALA287B, ALA33A, ALA33B, ALA34A, ALA34B, ALA39A, ALA39B, ALA44A, ALA44B, ALA45A, ALA45B, ALA94A, ALA94B, ARG102A, ARG102B, ARG110A, ARG110B, ARG138A, ARG138B, ARG145A, ARG145B, ARG186A, ARG186B, ARG189A, ARG189B, ARG24B, ASN106A, ASN106B, ASN173A, ASN173B, ASN223A, ASN223B, ASN31A, ASN31B, ASP172A, ASP172B, ASP222A, ASP222B, ASP26A, ASP26B, ASP280A, ASP280B, CYS111A, CYS111B, CYS27A, CYS27B, GLN190A, GLN190B, GLN274A, GLN274B, GLN43A, GLN43B, GLU101A, GLU101B, GLU148A, GLU148B, GLU201A, GLU201B, GLU25A, GLU25B, GLU289A, GLU289B, GLY100A, GLY113A, GLY113B, GLY143A, GLY143B, GLY166A, GLY166B, GLY179A, GLY179B, GLY180A, GLY180B, GLY249A, GLY249B, GLY250A, GLY250B, GLY270A, GLY270B, GLY38A, GLY38B, GLY40A, GLY40B, HIS174A, HIS174B, HIS95A, HIS95B, ILE114A, ILE114B, ILE63A, ILE63B, LEU105A, LEU105B, LEU108A, LEU108B, LEU146A, LEU146B, LEU167A, LEU167B, LEU18A, LEU18B, LEU196A, LEU23A, LEU23B, LEU279A, LEU279B, LEU283A, LEU283B, LEU285A, LEU285B, LEU30A, LEU35A, LEU35B, LEU97A, LEU97B, LEU98A, LEU98B, LEU99A, LEU99B, LYS139A, LYS139B, LYS149A, LYS171A, LYS171B, LYS183A, LYS183B, LYS284A, LYS284B, LYS288A, LYS288B, LYS49A, LYS49B, MET169A, MET169B, MET271A, MET271B, PHE144A, PHE144B, PHE194A, PHE281A, PHE281B, PHE286A, PHE286B, PHE59A, PHE59B, PRO142A, PRO142B, PRO277A, PRO277B, PRO28A, PRO28B, SER203B, SER21A, SER21B, SER282A, SER282B, SER37A, SER37B, SER42A, SER42B, THR107A, THR107B, THR137A, THR137B, THR140A, THR140B, THR141A, THR141B, THR14B, THR273A, THR273B, TRP22A, TRP22B, TYR32A, TYR32B, VAL103A, VAL103B, VAL147A, VAL147B, VAL168A, VAL168B, VAL170A, VAL170B, VAL175A, VAL175B, VAL176A, VAL176B, VAL181A, VAL181B, VAL185A, VAL185B, VAL198A, VAL198B, VAL19A, VAL19B, VAL200A, VAL200B, VAL36A, VAL36B
• A-C: ALA16A, ALA16C, ALA17A, ALA17C, ALA33A, ALA34A, ALA39A, ALA7C, ALA94A, ARG145C, ARG24A, ARG24C, ASN31A, ASN68A, ASP163C, ASP20A, ASP20C, ASP26A, ASP2C, CYS27A, CYS96A, GLN66A, GLU25A, GLU4C, GLY151C, GLY29A, GLY38A, GLY40A, GLY5C, HIS160C, HIS95A, ILE63A, LEU10C, LEU146C, LEU152C, LEU153C, LEU15C, LEU164C, LEU18C, LEU23A, LEU30A, LEU35A, LEU67A, LEU6C, LEU8C, LEU99A, LEU9C, LYS149C, LYS288A, MET1C, PHE59C, PRO11C, PRO12C, PRO28A, PRO93A, SER159C, SER21A, SER21C, SER37A, THR14C, TRP22A, TYR150C, TYR162C, TYR32A, VAL13C, VAL147C, VAL19A, VAL36A
• A-D: ARG24A, ARG24D, GLU25A, GLU25D, PRO28A, PRO28D
• A-E: ALA158A, ALA16A, ALA16E, ALA17A, ALA17E, ALA33E, ALA34E, ALA39E, ALA3A, ALA7A, ALA94E, ARG145A, ARG24A, ARG24E, ASN31E, ASN68E, ASP163A, ASP20A, ASP20E, ASP26E, ASP2A, CYS27E, CYS96E, GLN66E, GLU148A, GLU25E, GLU4A, GLY151A, GLY165A, GLY29E, GLY38E, GLY40E, GLY5A, HIS160A, HIS95E, ILE63E, LEU10A, LEU146A, LEU152A, LEU153A, LEU15A, LEU164A, LEU18A, LEU23E, LEU30E, LEU35E, LEU67E, LEU6A, LEU8A, LEU99E, LEU9A, LYS149A, MET1A, PHE59A, PRO11A, PRO12A, PRO28E, PRO93E, SER159A, SER21A, SER21E, SER37E, THR14A, TRP22E, TYR150A, TYR162A, TYR32E, VAL13A, VAL147A, VAL19A, VAL19E, VAL36E
• A-F: ALA135A, ALA135F, ALA157F, ALA158A, ALA158F, ALA187A, ALA187F, ALA188A, ALA188F, ALA191A, ALA191F, ALA192A, ALA192F, ALA195A, ALA195F, ALA244A, ARG161A, ARG161F, ARG186A, ARG189A, ARG189F, ASP163A, ASP163F, ASP193A, ASP193F, ASP265A, ASP2A, ASP2F, GLN190A, GLN190F, GLY132A, GLY156F, GLY165A, GLY165F, GLY166A, GLY166F, HIS133A, HIS133F, HIS160A, HIS160F, LEU153A, LEU153F, LEU164A, LEU164F, LEU167A, LEU167F, LEU196A, LEU196F, LEU218A, LEU218F, LEU6A, LEU6F, LEU9A, LEU9F, LYS197A, LYS197F, MET169A, MET169F, MET1A, MET1F, PHE194A, PHE194F, SER159A, SER159F, THR131A, TYR162A, TYR162F, VAL122F, VAL134A, VAL134F, VAL168A, VAL168F, VAL198A, VAL198F, VAL266A, VAL266F
• B-C: ALA135B, ALA135C, ALA157B, ALA157C, ALA158B, ALA158C, ALA187B, ALA187C, ALA188B, ALA191B, ALA191C, ALA192B, ALA192C, ALA195B, ALA244C, ARG161C, ARG186B, ARG189B, ARG189C, ASP163C, ASP193B, ASP193C, ASP217B, ASP265B, ASP265C, ASP2B, ASP2C, GLN190B, GLN190C, GLU246C, GLY132C, GLY136C, GLY166B, GLY5B, HIS133B, HIS133C, HIS160C, ILE267C, LEU153B, LEU153C, LEU164C, LEU167B, LEU167C, LEU196B, LEU218B, LEU218C, LEU6B, LEU6C, LEU9B, LEU9C, LYS197B, LYS197C, MET1B, MET1C, PHE194B, PHE194C, SER159B, SER159C, SER268C, TRP130C, TYR162C, VAL134C, VAL168B, VAL198C, VAL245C, VAL266B, VAL266C
• B-D: ALA158B, ALA16B, ALA16D, ALA17B, ALA17D, ALA33D, ALA34D, ALA39D, ALA7B, ALA94D, ARG145B, ARG24D, ASN31D, ASN68D, ASP20D, ASP26D, ASP2B, CYS27D, CYS96D, GLN66D, GLU148B, GLU25D, GLU4B, GLY151B, GLY29D, GLY38D, GLY40D, GLY5B, HIS95D, ILE63D, LEU10B, LEU146B, LEU152B, LEU153B, LEU15B, LEU18B, LEU23D, LEU30D, LEU35D, LEU67D, LEU6B, LEU8B, LEU99D, LEU9B, LYS149B, MET1B, PHE59B, PRO11B, PRO12B, PRO28D, PRO93D, SER159B, SER21B, SER21D, SER37D, THR14B, TRP22D, TYR150B, TYR32D, VAL13B, VAL147B, VAL19D, VAL36D
• B-E: ARG24B, ARG24E, GLU25B, GLU25E, GLY29B, GLY29E, PRO28B, PRO28E
• B-F: ALA16F, ALA17F, ALA33B, ALA34B, ALA39B, ALA3F, ALA7F, ALA94B, ARG145F, ARG161F, ARG24B, ASN31B, ASN68B, ASP163F, ASP20B, ASP20F, ASP26B, ASP2F, CYS27B, CYS96B, GLN66B, GLU148F, GLU25B, GLU4F, GLY151F, GLY165F, GLY29B, GLY38B, GLY40B, GLY5F, HIS160F, HIS95B, ILE63B, LEU10F, LEU146F, LEU152F, LEU153F, LEU15F, LEU164F, LEU18F, LEU23B, LEU30B, LEU35B, LEU67B, LEU6F, LEU8F, LEU99B, LEU9F, LYS149F, LYS288B, MET1F, PHE59F, PRO11F, PRO12F, PRO28B, PRO93B, SER159F, SER21B, SER37B, THR14F, THR65F, TRP22B, TYR150F, TYR162F, TYR32B, VAL13F, VAL147F, VAL19B, VAL36B
• C-D: ALA104C, ALA104D, ALA109C, ALA109D, ALA177C, ALA177D, ALA178C, ALA178D, ALA184C, ALA184D, ALA187C, ALA187D, ALA188C, ALA188D, ALA191C, ALA191D, ALA192C, ALA275C, ALA275D, ALA276C, ALA276D, ALA278C, ALA278D, ALA287C, ALA287D, ALA33C, ALA33D, ALA34C, ALA34D, ALA39C, ALA39D, ALA44C, ALA44D, ALA45C, ALA45D, ALA94C, ALA94D, ARG102C, ARG102D, ARG110C, ARG110D, ARG138C, ARG138D, ARG145C, ARG145D, ARG186C, ARG186D, ARG189C, ARG189D, ARG24C, ARG24D, ASN106C, ASN106D, ASN173C, ASN173D, ASN223C, ASN223D, ASN31C, ASN31D, ASP163C, ASP172C, ASP172D, ASP193C, ASP222C, ASP222D, ASP26C, ASP26D, ASP280C, ASP280D, CYS111C, CYS111D, CYS27C, CYS27D, GLN190C, GLN190D, GLN274C, GLN274D, GLN43C, GLN43D, GLU101C, GLU101D, GLU148C, GLU148D, GLU201C, GLU201D, GLU25C, GLU25D, GLU289C, GLU289D, GLY100C, GLY113C, GLY113D, GLY143C, GLY143D, GLY179C, GLY179D, GLY180C, GLY180D, GLY249C, GLY249D, GLY250C, GLY250D, GLY270C, GLY270D, GLY38C, GLY38D, GLY40C, GLY40D, HIS174C, HIS174D, HIS95C, HIS95D, ILE114C, ILE114D, ILE63C, ILE63D, LEU105C, LEU105D, LEU108C, LEU108D, LEU146C, LEU146D, LEU18C, LEU18D, LEU23C, LEU23D, LEU272C, LEU272D, LEU279C, LEU279D, LEU283C, LEU283D, LEU285C, LEU285D, LEU30C, LEU30D, LEU35C, LEU35D, LEU97C, LEU97D, LEU98C, LEU98D, LEU99C, LEU99D, LYS139C, LYS139D, LYS171C, LYS171D, LYS183C, LYS183D, LYS284C, LYS284D, LYS288C, LYS288D, LYS49C, LYS49D, MET169C, MET169D, MET271C, MET271D, PHE144C, PHE144D, PHE281C, PHE281D, PHE286C, PHE286D, PHE59C, PHE59D, PRO142C, PRO142D, PRO277C, PRO277D, PRO28C, PRO28D, PRO41D, SER203C, SER203D, SER21C, SER21D, SER282C, SER282D, SER37C, SER37D, SER42C, SER42D, SER50C, THR107C, THR107D, THR137C, THR137D, THR140C, THR140D, THR141C, THR141D, THR273C, THR273D, TRP22C, TRP22D, TYR162C, TYR32C, TYR32D, VAL103C, VAL103D, VAL147C, VAL147D, VAL168C, VAL168D, VAL170C, VAL170D, VAL175C, VAL175D, VAL176C, VAL176D, VAL181C, VAL185C, VAL185D, VAL198C, VAL198D, VAL19C, VAL19D, VAL200C, VAL200D, VAL36C, VAL36D
• C-E: ALA157E, ALA158E, ALA16C, ALA16E, ALA17C, ALA17E, ALA33C, ALA34C, ALA39C, ALA3E, ALA7E, ALA94C, ARG145E, ARG24C, ASN31C, ASN68C, ASP20C, ASP26C, ASP2E, CYS27C, CYS96C, GLN66C, GLU148E, GLU25C, GLY100C, GLY151E, GLY29C, GLY38C, GLY40C, GLY5E, HIS95C, ILE63C, LEU10E, LEU146E, LEU152E, LEU153E, LEU15E, LEU18E, LEU23C, LEU30C, LEU35C, LEU67C, LEU6E, LEU8E, LEU99C, LEU9E, LYS149E, MET1E, PHE59E, PRO11E, PRO12E, PRO28C, PRO93C, SER21C, SER37C, THR14E, TRP22C, TYR150E, TYR32C, VAL13E, VAL147E, VAL154E, VAL19C, VAL36C
• C-F: ARG24C, ARG24F, GLU25C, GLU25F, GLY29C, GLY29F, PRO28C, PRO28F
• D-E: ALA135D, ALA157D, ALA157E, ALA158D, ALA158E, ALA187D, ALA187E, ALA188D, ALA188E, ALA191D, ALA191E, ALA192E, ALA195E, ALA244D, ALA3D, ARG186D, ARG186E, ARG189D, ARG189E, ASP193E, ASP217D, ASP265D, ASP2D, ASP2E, GLN190D, GLN190E, GLY132D, GLY156D, GLY156E, HIS133D, HIS133E, LEU152D, LEU153D, LEU153E, LEU196E, LEU218D, LEU6D, LEU6E, LEU9D, LEU9E, LYS197E, MET1D, MET1E, PHE194E, THR131D, VAL154D, VAL198D, VAL266D
• D-F: ALA158D, ALA16D, ALA16F, ALA17D, ALA33F, ALA34F, ALA39F, ALA3D, ALA7D, ALA94F, ARG145D, ARG24F, ASN31F, ASN68F, ASP20D, ASP20F, ASP26F, ASP2D, CYS27F, CYS96F, GLN66F, GLU25F, GLU4D, GLY151D, GLY29F, GLY38F, GLY40F, GLY5D, HIS95F, ILE63F, LEU10D, LEU146D, LEU153D, LEU15D, LEU18D, LEU23F, LEU30F, LEU35F, LEU67F, LEU6D, LEU8D, LEU99F, LEU9D, LYS149D, MET1D, PHE59D, PRO11D, PRO12D, PRO28F, PRO93F, SER21D, SER21F, SER37F, THR14D, THR65D, TRP22F, TYR150D, TYR32F, VAL13D, VAL147D, VAL154D, VAL19D, VAL19F, VAL36F
• E-F: ALA104E, ALA104F, ALA109E, ALA109F, ALA177E, ALA177F, ALA178E, ALA178F, ALA184E, ALA184F, ALA187E, ALA187F, ALA188E, ALA188F, ALA191E, ALA191F, ALA192E, ALA192F, ALA195E, ALA275E, ALA275F, ALA276E, ALA276F, ALA278E, ALA278F, ALA287E, ALA287F, ALA33E, ALA33F, ALA34E, ALA34F, ALA39E, ALA39F, ALA44E, ALA44F, ALA45E, ALA45F, ALA94E, ALA94F, ARG102E, ARG102F, ARG110E, ARG110F, ARG138E, ARG138F, ARG145E, ARG145F, ARG186E, ARG186F, ARG189E, ARG189F, ARG24E, ASN106E, ASN106F, ASN173E, ASN173F, ASN223E, ASN223F, ASN31E, ASN31F, ASP172E, ASP172F, ASP193E, ASP222E, ASP222F, ASP26E, ASP26F, ASP280E, ASP280F, CYS111E, CYS27E, CYS27F, GLN190E, GLN190F, GLN274E, GLN274F, GLN43E, GLN43F, GLU101E, GLU101F, GLU148E, GLU148F, GLU201E, GLU201F, GLU207F, GLU25E, GLU25F, GLU289E, GLY100F, GLY113E, GLY113F, GLY143E, GLY143F, GLY179E, GLY179F, GLY180E, GLY180F, GLY249E, GLY249F, GLY250E, GLY250F, GLY270E, GLY270F, GLY29E, GLY38E, GLY38F, GLY40E, GLY40F, HIS174E, HIS174F, HIS95E, HIS95F, ILE114E, ILE114F, ILE63E, ILE63F, LEU105E, LEU105F, LEU108E, LEU108F, LEU146E, LEU146F, LEU167E, LEU18E, LEU18F, LEU196E, LEU196F, LEU23E, LEU23F, LEU272E, LEU272F, LEU279E, LEU279F, LEU283E, LEU283F, LEU285E, LEU285F, LEU30F, LEU35E, LEU35F, LEU97E, LEU97F, LEU98E, LEU98F, LEU99E, LEU99F, LYS139E, LYS139F, LYS149F, LYS171E, LYS171F, LYS183E, LYS183F, LYS197E, LYS284E, LYS284F, LYS288E, LYS288F, LYS49E, LYS49F, MET169E, MET169F, MET271E, MET271F, PHE144E, PHE144F, PHE194F, PHE281E, PHE281F, PHE286E, PHE286F, PHE59E, PHE59F, PRO142E, PRO142F, PRO277E, PRO277F, PRO28E, PRO28F, PRO41E, PRO93E, SER203E, SER203F, SER21E, SER21F, SER248F, SER282E, SER282F, SER37E, SER37F, SER42E, SER42F, SER50E, THR107E, THR107F, THR137E, THR137F, THR140E, THR140F, THR141E, THR141F, THR252F, THR273E, THR273F, TRP22E, TRP22F, TYR32E, TYR32F, VAL103E, VAL103F, VAL147E, VAL147F, VAL168E, VAL168F, VAL170E, VAL170F, VAL175E, VAL175F, VAL176E, VAL176F, VAL181E, VAL181F, VAL185E, VAL185F, VAL198E, VAL198F, VAL19E, VAL19F, VAL200E, VAL36E, VAL36F