2DQB

crystal structure of dntp triphosphohydrolase from thermus thermophilus hb8, which is homologous to dgtp triphosphohydrolase

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 58
  • Norm. En. per Res.: -3.7799
• 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	-23.8984	20.8219	-146.394	-149.4705	57	6	1	6112	0	22	25
A-C	-11.1963	6.5589	-136.873	-141.5104	59	7	1	5966	0	23	25
A-D	-87.7776	17.3129	-494.641	-565.1057	240	44	10	22287	20	123	126
A-F	-9.0158	-10.9905	-33.5819	-53.5881	20	5	1	1393	2	8	5
B-C	-7.3514	19.1826	-161.489	-149.6578	61	10	1	6478	0	23	25
B-E	-59.6071	27.339	-432.69	-464.958	220	43	10	20746	19	119	120
C-E	0.0	0.0	-0.0021	-0.0021	3	0	0	2	0	4	3
C-F	-104.8385	-16.672	-516.344	-637.8545	232	47	10	22854	25	122	125
D-E	-16.5861	26.1051	-148.214	-138.695	58	12	1	6220	1	23	24
D-F	-10.1913	16.4985	-159.419	-153.1118	56	12	1	6292	0	24	25
E-F	-32.5522	-30.5134	-156.171	-219.2366	58	19	1	6404	3	22	24

Interface residues

• A-B: ALA320B, ALA322B, ALA329A, ALA330A, ALA370A, ARG306B, ARG309B, ARG315B, ARG317B, ARG318B, ARG333A, ARG340A, ARG372A, ARG372B, ARG373A, GLN343A, GLU218B, GLU305B, GLU312B, GLU316B, GLU321B, GLU336A, GLU341A, GLU369A, GLY212B, GLY326A, GLY326B, HIS215B, HIS310B, LEU213B, LEU214B, LEU303B, LEU314B, LEU324B, LEU327A, LEU337A, LEU338A, LEU368B, LEU374A, LYS319B, PHE115B, PHE302B, PHE307B, PHE366A, PRO311B, PRO335A, PRO339A, PRO376A, SER375A, TYR308B, TYR331A, TYR334A, TYR371A, TYR371B, VAL313B, VAL323B, VAL342A
• A-C: ALA320A, ALA322A, ALA329C, ALA330C, ALA370C, ARG306A, ARG309A, ARG315A, ARG317A, ARG318A, ARG333C, ARG340C, ARG372A, ARG372C, ARG373C, GLN343C, GLU218A, GLU305A, GLU312A, GLU316A, GLU321A, GLU325A, GLU336C, GLU341C, GLU369C, GLY326A, GLY326C, HIS215A, HIS310A, LEU213A, LEU214A, LEU303A, LEU314A, LEU324A, LEU327C, LEU337C, LEU338C, LEU368A, LEU374C, LYS319A, PHE115A, PHE302A, PHE307A, PHE366C, PRO311A, PRO335C, PRO339C, PRO376C, SER375C, TRP68A, TYR308A, TYR331C, TYR334C, TYR358C, TYR371A, TYR371C, VAL313A, VAL323A, VAL342C
• A-D: 2104CB7.6371, 2104CB9.7955, 3104CB5.1745, 3104CB9.9246, ALA103D, ALA13D, ALA17A, ALA17D, ALA199A, ALA199D, ALA202A, ALA202D, ALA20A, ALA20D, ALA23A, ALA258A, ALA258D, ALA259A, ALA262A, ALA262D, ALA54A, ALA54D, ALA69A, ALA7A, ALA7D, ALA84A, ALA84D, ALA91A, ALA91D, ALA93A, ALA93D, ARG149A, ARG149D, ARG154A, ARG154D, ARG15A, ARG15D, ARG210A, ARG210D, ARG244A, ARG244D, ARG245A, ARG245D, ARG249A, ARG249D, ARG265A, ARG265D, ARG2A, ARG2A5, ARG2D, ARG365A, ARG365D, ARG39A, ARG39D, ARG46A, ARG46D, ARG48A, ARG48D, ARG56A, ARG56D, ARG57A, ARG5A, ARG5D, ARG74A, ARG74D, ARG76A, ARG76D, ARG88A, ARG88D, ARG92A, ARG92D, ASN97A, ASN97D, ASP206A, ASP206D, ASP207A, ASP207D, ASP243A, ASP243D, ASP47A, ASP47D, ASP71D, ASP99A, ASP99D, GLN250A, GLN250D, GLN43A, GLN43D, GLN63A, GLN63D, GLN85A, GLN85D, GLU102A, GLU102D, GLU10D, GLU12A, GLU12D, GLU147A, GLU147D, GLU232A, GLU232D, GLU241A, GLU241D, GLU261A, GLU261D, GLU268A, GLU268D, GLU341A, GLU341D, GLU59A, GLU59D, GLU82A, GLU82D, GLU98A, GLU98D, GLY152A, GLY152D, GLY155A, GLY155D, GLY253A, GLY253D, GLY67A, GLY95A, GLY95D, HIS203A, HIS203D, HIS264A, HIS264D, HIS51A, HIS51D, HIS79A, HIS79D, ILE256A, ILE256D, ILE260A, ILE260D, ILE90A, ILE90D, LEU106A, LEU106D, LEU11A, LEU11D, LEU146A, LEU146D, LEU156A, LEU156D, LEU16A, LEU16D, LEU234A, LEU234D, LEU242A, LEU242D, LEU252A, LEU252D, LEU37A, LEU37D, LEU50A, LEU50D, LEU58A, LEU58D, LEU77A, LEU77D, LEU81A, LEU81D, LEU8A, LEU8D, LEU94A, LEU94D, LEU96A, LEU96D, LEU9D, LYS345D, LYS44A, LYS44D, LYS61A, LYS61D, PHE153A, PHE153D, PHE366A, PHE3A, PHE3D, PHE55A, PHE55D, PRO151A, PRO151D, PRO18A, PRO18D, PRO41A, PRO41D, SER14A, SER14D, SER4A, SER4D, SER89A, SER89D, THR257A, THR257D, THR263A, THR263D, THR363A, THR363D, THR40A, THR40D, THR52A, THR52D, THR53A, THR53D, THR62A, THR62D, THR75A, THR75D, THR78A, THR78D, THR80A, THR80D, TYR150A, TYR150D, TYR19A, TYR19D, TYR38A, TYR38D, TYR42A, TYR42D, TYR60A, TYR60D, TYR72A, TYR72D, TYR73A, TYR73D, VAL148A, VAL148D, VAL246A, VAL246D, VAL248A, VAL248D, VAL267A, VAL267D, VAL83A, VAL86A, VAL86D
• A-F: ARG238A, ARG238F, ASP235F, GLU217A, GLU217F, GLU218A, GLU218F, HIS215A, HIS215F, LEU214A, LEU236A, LEU236F, LEU237A, LEU237F, LEU239A, LEU239F, PHE209A, PRO216A, PRO216F, PRO240F
• B-C: ALA320C, ALA322C, ALA329B, ALA330B, ALA367C, ALA370B, ARG306C, ARG309C, ARG315C, ARG317C, ARG318C, ARG333B, ARG340B, ARG372B, ARG372C, ARG373B, GLN343B, GLU218C, GLU305C, GLU312C, GLU316C, GLU321C, GLU336B, GLU341B, GLU369B, GLY212C, GLY326B, GLY326C, HIS215C, HIS310C, LEU213C, LEU214C, LEU303C, LEU314C, LEU324C, LEU327B, LEU337B, LEU338B, LEU368C, LEU374B, LYS319C, PHE115C, PHE302C, PHE307C, PHE366B, PRO311C, PRO335B, PRO339B, PRO376B, SER375B, THR332B, TRP68C, TYR308C, TYR331B, TYR334B, TYR358B, TYR371B, TYR371C, VAL313C, VAL323C, VAL342B
• B-E: ALA103E, ALA17B, ALA17E, ALA199B, ALA199E, ALA202B, ALA202E, ALA20B, ALA20E, ALA23B, ALA23E, ALA258B, ALA258E, ALA262E, ALA54B, ALA54E, ALA7B, ALA7E, ALA84B, ALA84E, ALA91B, ALA91E, ALA93B, ALA93E, ARG149B, ARG149E, ARG154E, ARG15B, ARG15E, ARG210B, ARG210E, ARG244B, ARG244E, ARG245B, ARG245E, ARG249B, ARG249E, ARG265B, ARG265E, ARG2B, ARG2E, ARG365B, ARG365E, ARG39B, ARG39E, ARG46B, ARG46E, ARG48B, ARG48E, ARG56B, ARG56E, ARG57B, ARG5B, ARG5E, ARG74B, ARG74E, ARG76B, ARG76E, ARG88B, ARG88E, ARG92B, ARG92E, ASN97B, ASN97E, ASP206B, ASP206E, ASP207B, ASP207E, ASP243B, ASP243E, ASP47B, ASP47E, ASP71E, ASP99B, ASP99E, GLN250B, GLN250E, GLN43B, GLN43E, GLN63B, GLN85B, GLN85E, GLU102B, GLU102E, GLU12B, GLU12E, GLU147B, GLU147E, GLU232B, GLU232E, GLU241B, GLU241E, GLU261B, GLU261E, GLU268B, GLU268E, GLU59B, GLU59E, GLU82B, GLU82E, GLU98B, GLU98E, GLY152E, GLY155B, GLY155E, GLY253B, GLY253E, GLY67E, GLY95B, GLY95E, HIS203B, HIS203E, HIS264B, HIS264E, HIS51B, HIS51E, HIS79B, HIS79E, ILE256B, ILE256E, ILE260B, ILE260E, ILE90B, ILE90E, LEU106B, LEU106E, LEU11B, LEU11E, LEU146B, LEU146E, LEU156B, LEU156E, LEU16B, LEU16E, LEU234E, LEU242B, LEU242E, LEU252B, LEU252E, LEU37B, LEU37E, LEU50B, LEU50E, LEU58B, LEU58E, LEU77B, LEU77E, LEU81B, LEU81E, LEU8B, LEU8E, LEU94B, LEU94E, LEU96B, LEU96E, LEU9B, LEU9E, LYS44B, LYS44E, LYS61B, LYS61E, PHE153B, PHE153E, PHE255E, PHE3B, PHE3E, PHE55B, PHE55E, PRO151B, PRO151E, PRO18B, PRO18E, PRO41B, PRO41E, SER14B, SER4B, SER4E, SER89B, SER89E, THR257B, THR257E, THR263E, THR40B, THR40E, THR52B, THR52E, THR53B, THR53E, THR62B, THR62E, THR75B, THR75E, THR78B, THR78E, THR80B, THR80E, TYR150B, TYR150E, TYR19B, TYR19E, TYR254E, TYR38B, TYR38E, TYR42B, TYR42E, TYR60B, TYR60E, TYR72E, TYR73B, TYR73E, VAL148B, VAL148E, VAL246B, VAL246E, VAL248B, VAL248E, VAL267E, VAL83B, VAL86B, VAL86E
• C-E: ARG238C, ASP235E, PRO216E
• C-F: ALA103C, ALA103F, ALA13F, ALA17C, ALA17F, ALA199C, ALA199F, ALA202C, ALA202F, ALA20C, ALA20F, ALA23C, ALA258C, ALA258F, ALA259C, ALA262C, ALA262F, ALA54C, ALA54F, ALA69C, ALA7C, ALA7F, ALA84C, ALA84F, ALA91C, ALA91F, ALA93C, ALA93F, ARG149C, ARG149F, ARG154F, ARG15C, ARG15F, ARG210C, ARG210F, ARG244C, ARG244F, ARG245C, ARG245F, ARG249C, ARG249F, ARG265C, ARG265F, ARG2C, ARG2F, ARG365C, ARG365F, ARG39C, ARG39F, ARG46C, ARG46F, ARG48C, ARG48F, ARG56C, ARG56F, ARG57C, ARG57F, ARG5C, ARG5F, ARG74C, ARG74F, ARG76C, ARG76F, ARG88C, ARG88F, ARG92C, ARG92F, ASN97C, ASN97F, ASP206C, ASP206F, ASP207C, ASP207F, ASP243C, ASP243F, ASP47C, ASP47F, ASP71F, ASP99C, ASP99F, GLN250C, GLN250F, GLN43C, GLN43F, GLN63C, GLN63F, GLN85C, GLN85F, GLU102C, GLU102F, GLU10F, GLU12C, GLU12F, GLU147C, GLU147F, GLU232C, GLU232F, GLU241C, GLU241F, GLU261C, GLU261F, GLU268C, GLU268F, GLU33F, GLU341F, GLU59C, GLU59F, GLU82C, GLU82F, GLU98C, GLU98F, GLY152C, GLY152F, GLY253C, GLY253F, GLY67C, GLY95C, GLY95F, HIS203C, HIS203F, HIS264C, HIS264F, HIS51C, HIS51F, HIS79C, HIS79F, ILE256C, ILE256F, ILE260C, ILE260F, ILE49F, ILE90C, ILE90F, LEU106C, LEU106F, LEU11C, LEU11F, LEU146C, LEU146F, LEU156C, LEU156F, LEU16C, LEU16F, LEU234C, LEU234F, LEU242C, LEU242F, LEU252C, LEU252F, LEU37C, LEU37F, LEU50C, LEU50F, LEU58C, LEU58F, LEU77C, LEU77F, LEU81C, LEU81F, LEU8C, LEU8F, LEU94C, LEU94F, LEU96C, LEU96F, LEU9C, LYS345C, LYS44C, LYS44F, LYS61C, LYS61F, PHE153C, PHE153F, PHE366C, PHE3C, PHE3F, PHE55C, PHE55F, PRO151C, PRO151F, PRO18C, PRO18F, PRO41C, SER14C, SER14F, SER4C, SER4F, SER89C, SER89F, THR257C, THR257F, THR263C, THR263F, THR40C, THR40F, THR52C, THR52F, THR53C, THR53F, THR62C, THR62F, THR75C, THR75F, THR78C, THR78F, THR80C, THR80F, TRP68C, TYR150C, TYR150F, TYR19C, TYR19F, TYR38C, TYR38F, TYR42C, TYR42F, TYR60C, TYR60F, TYR72F, TYR73C, TYR73F, VAL148C, VAL148F, VAL246C, VAL246F, VAL248C, VAL248F, VAL267C, VAL267F, VAL83F, VAL86C, VAL86F
• D-E: ALA320D, ALA322D, ALA329E, ALA330E, ALA367D, ALA370E, ARG306D, ARG309D, ARG315D, ARG317D, ARG318D, ARG333E, ARG340E, ARG372D, ARG372E, ARG373E, GLN343E, GLU218D, GLU305D, GLU312D, GLU316D, GLU321D, GLU325D, GLU336E, GLU341E, GLU369E, GLY326D, GLY326E, HIS215D, HIS310D, LEU213D, LEU214D, LEU314D, LEU324D, LEU327E, LEU337E, LEU338E, LEU368D, LEU374E, LYS319D, PHE115D, PHE302D, PHE307D, PHE366E, PRO311D, PRO335E, PRO339E, PRO376E, SER375E, TYR308D, TYR331E, TYR334E, TYR358E, TYR371D, TYR371E, VAL313D, VAL323D, VAL342E
• D-F: ALA320F, ALA322F, ALA329D, ALA330D, ALA370D, ARG306F, ARG309F, ARG315F, ARG317F, ARG318F, ARG333D, ARG340D, ARG372D, ARG372F, ARG373D, GLN343D, GLU218F, GLU305F, GLU312F, GLU316F, GLU321F, GLU336D, GLU341D, GLU369D, GLY212F, GLY326D, GLY326F, HIS215F, HIS310F, LEU213F, LEU214F, LEU303F, LEU314F, LEU324F, LEU327D, LEU337D, LEU338D, LEU368F, LEU374D, LYS319F, PHE115F, PHE302F, PHE307F, PRO311F, PRO335D, PRO339D, PRO376D, SER375D, TYR308F, TYR331D, TYR334D, TYR371D, TYR371F, VAL313F, VAL323F, VAL342D
• E-F: ALA320E, ALA322E, ALA329F, ALA330F, ALA370F, ARG306E, ARG309E, ARG315E, ARG317E, ARG318E, ARG333F, ARG340F, ARG372E, ARG372F, ARG373F, GLN343F, GLU218E, GLU305E, GLU312E, GLU316E, GLU321E, GLU325E, GLU336F, GLU341F, GLU369F, GLY326E, GLY326F, HIS215E, HIS310E, LEU213E, LEU214E, LEU303E, LEU314E, LEU324E, LEU327F, LEU337F, LEU338F, LEU368E, LEU374F, LYS319E, PHE115E, PHE302E, PHE307E, PHE366F, PRO311E, PRO335F, PRO339F, PRO376F, SER375F, TYR308E, TYR331F, TYR334F, TYR358F, TYR371E, TYR371F, VAL313E, VAL323E, VAL342F