3JQM

binding of 5'-gtp to molybdenum cofactor biosynthesis protein moac from thermus theromophilus hb8

• Total interactions analyzed: 36
• Total true interactions: 23
• Strongest Interaction:
  • Chains: F-G
  • Int. Res.: 65
  • Norm. En. per Res.: -5.4297
• Hub Node: C(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	0.0	0.0	-24.0063	-24.0063	31	4	4	1647	0	6	6
A-D	0.0	2.2212	-22.1621	-19.9409	19	0	0	766	0	11	8
A-E	-51.6376	-53.9297	-216.733	-322.3003	69	25	1	9029	9	31	29
A-H	0.0	-3.7349	-25.5423	-29.2772	21	0	0	892	0	9	9
B-D	-5.4573	41.7254	-48.2376	-11.9695	33	6	0	1913	3	35	31
B-E	-74.5773	-21.1375	-457.082	-552.7968	173	27	20	22104	1	41	51
B-H	0.0	0.0	-1.8376	-1.8376	5	0	0	99	0	3	4
B-I	0.0	0.6789	-18.1284	-17.4495	20	2	0	796	0	13	10
C-D	-82.1748	-11.5497	-220.573	-314.2975	68	18	1	9143	4	29	25
C-F	0.0	0.0	-26.6715	-26.6715	29	4	4	1646	0	7	9
C-G	-41.0691	-36.0203	-481.914	-559.0034	180	22	18	22315	7	41	51
C-H	-88.9919	-9.4039	-212.166	-310.5618	67	35	1	9073	4	32	28
C-I	0.0	14.2887	-0.3743	13.9145	3	0	0	15	0	2	1
D-F	-84.5114	-26.6009	-470.124	-581.2363	181	33	20	22356	5	40	49
D-G	0.0	11.7128	-0.263	11.4498	2	0	0	15	0	2	2
D-H	-66.1732	-33.3912	-188.823	-288.3875	66	17	1	8337	3	30	23
D-I	0.0	0.0	-28.44	-28.44	29	2	4	1741	0	7	5
F-G	-86.5796	-60.1811	-206.172	-352.9327	65	13	1	8497	6	29	24
F-H	0.0	13.8513	-0.3197	13.5316	2	0	0	13	0	2	1
F-I	-62.9455	-38.9679	-177.276	-279.1894	61	16	0	7690	4	29	22
G-H	0.0	0.0	-23.8469	-23.8469	28	5	4	1752	0	6	7
G-I	-50.7879	-6.2574	-164.645	-221.6903	62	19	1	7724	4	30	22
H-I	-73.9623	-25.8882	-475.089	-574.9395	178	28	20	22655	3	39	53

Interface residues

• A-B: ALA56A, ALA56B, ALA59A, ALA59B, ASP126A, ASP51A, ASP51B, GLN57A, GLN57B, GLY50A, GLY50B, ILE61A, ILE61B, LEU58A, LEU58B, LEU62A, LEU62B, LYS49A, LYS49B, LYS65A, LYS65B, LYS66A, LYS66B, MET127A, MET127B, THR123A, THR123B, VAL54A, VAL54B, VAL55A, VAL55B
• A-D: ALA146D, ALA41A, ARG24D, GLU152D, GLU21D, GLU43A, GLY147D, GLY45A, GLY46A, GLY48A, LYS102D, LYS104D, LYS44A, PHE23D, SER40A, THR103D, THR22D, THR25D, THR80D
• A-E: ALA105A, ALA105E, ALA59A, ALA64A, ALA68E, ALA99A, ARG10E, ARG12E, ARG24A, ARG85A, ASP15E, ASP69A, ASP69E, ASP8E, CYS74E, GLN57A, GLN7E, GLU106E, GLU112A, GLU18E, GLU21A, GLU21E, GLU83A, GLU87A, GLU98A, GLY81A, GLY9E, HIS75E, ILE61A, ILE71E, LEU58A, LEU62A, LEU70E, LEU73E, LEU77A, LEU77E, LEU79A, LYS102A, LYS104A, LYS104E, LYS19E, LYS65A, LYS66A, LYS66E, MET13E, PHE23A, PRO11E, PRO20E, PRO72E, PRO76E, PRO78A, PRO78E, THR100A, THR103A, THR107E, THR17E, THR22A, THR25A, THR67A, THR67E, THR80A, VAL101A, VAL14E, VAL16E, VAL54A, VAL55A, VAL82A, VAL84A, VAL86A
• A-H: ALA130A, ALA131A, ALA38A, ALA41A, ASP15H, GLU18H, GLU37A, GLU43A, GLY45A, GLY46A, GLY48A, LEU128A, LEU42A, LYS149H, LYS19H, LYS44A, LYS49A, PRO20H, SER40A, THR17H, VAL47A
• B-D: ALA91B, ALA91D, ARG141B, ARG141D, ARG155B, ARG155D, ARG85B, ARG85D, ARG94B, ARG94D, ARG96B, ARG96D, GLU29D, GLU83D, GLU87B, GLU87D, GLU92B, GLU92D, GLU98B, GLU98D, LEU143D, LEU88B, LEU88D, LEU89B, LEU89D, LYS90B, LYS90D, LYS93B, LYS93D, PHE31D, VAL84D, VAL86B, VAL86D
• B-E: ALA113B, ALA113E, ALA116B, ALA116E, ALA118B, ALA118E, ALA120B, ALA120E, ALA121B, ALA121E, ALA130B, ALA130E, ALA146B, ALA26B, ALA28B, ALA28E, ALA30B, ALA30E, ALA56B, ALA56E, ALA59B, ALA59E, ALA63B, ALA63E, ALA64B, ALA64E, ALA68B, ALA68E, ARG10B, ARG10E, ARG12B, ARG12E, ARG141B, ARG141E, ARG154B, ARG154E, ARG155B, ARG155E, ARG24B, ARG94B, ARG94E, ASP126B, ASP126E, ASP15B, ASP51B, ASP51E, ASP69B, ASP69E, ASP8E, CYS117B, CYS117E, CYS74B, CYS74E, GLN139B, GLN139E, GLN57B, GLN57E, GLU110B, GLU110E, GLU112B, GLU112E, GLU152B, GLU152E, GLU29B, GLU29E, GLU33B, GLU33E, GLY108B, GLY108E, GLY134B, GLY134E, GLY151B, GLY151E, GLY45B, GLY45E, GLY46B, GLY48B, GLY48E, GLY50B, GLY50E, GLY60B, GLY60E, GLY9E, HIS144E, HIS75B, HIS75E, ILE137B, ILE137E, ILE71B, ILE71E, LEU122B, LEU122E, LEU128E, LEU135B, LEU135E, LEU142B, LEU142E, LEU143B, LEU143E, LEU58B, LEU58E, LEU62B, LEU62E, LEU70B, LEU70E, LEU73B, LEU73E, LYS129B, LYS129E, LYS133B, LYS133E, LYS145B, LYS145E, LYS44B, LYS49B, LYS49E, LYS66B, LYS66E, MET111B, MET111E, MET114B, MET114E, MET127B, MET127E, MET13B, MET13E, PHE31B, PHE31E, PRO11B, PRO11E, PRO52B, PRO52E, PRO72B, PRO72E, SER132B, SER132E, SER138B, SER138E, SER150B, SER150E, THR107B, THR107E, THR115B, THR115E, THR123B, THR123E, THR35E, THR67B, THR67E, TRP153B, TRP153E, TYR125B, TYR125E, VAL109B, VAL109E, VAL119B, VAL119E, VAL124B, VAL124E, VAL136B, VAL136E, VAL140B, VAL140E, VAL14B, VAL14E, VAL32B, VAL32E, VAL47B, VAL47E, VAL54B, VAL54E, VAL55B, VAL55E
• B-H: ARG10H, ARG12H, ARG85B, GLU83B, LYS102B
• B-I: ALA146B, ARG24B, GLU152B, GLU21B, GLU43I, GLY147B, GLY45I, GLY46I, GLY48I, HIS144B, LYS102B, LYS104B, LYS44I, PHE23B, SER40I, THR103B, THR22B, THR25B, THR80B, VAL47I
• C-D: ALA105C, ALA105D, ALA59C, ALA64C, ALA68D, ALA99C, ARG10D, ARG12D, ARG24C, ARG85C, ASP15D, ASP69C, ASP69D, CYS74D, GLN57C, GLU106D, GLU112C, GLU18D, GLU21C, GLU21D, GLU83C, GLU87C, GLU98C, GLY81C, GLY9D, HIS75D, ILE61C, ILE71D, LEU53C, LEU58C, LEU62C, LEU70D, LEU73D, LEU77C, LEU77D, LEU79C, LYS102C, LYS104C, LYS19D, LYS65C, LYS66C, LYS66D, MET13D, PHE23C, PRO11D, PRO20D, PRO72D, PRO76D, PRO78C, PRO78D, THR100C, THR103C, THR107D, THR17D, THR22C, THR22D, THR25C, THR67C, THR67D, THR80C, VAL101C, VAL14D, VAL16D, VAL54C, VAL55C, VAL82C, VAL84C, VAL86C
• C-F: ALA56C, ALA56F, ALA59C, ALA59F, ASP126F, ASP51C, ASP51F, GLN57C, GLN57F, GLY50F, ILE61C, ILE61F, LEU58C, LEU58F, LEU62C, LEU62F, LYS49C, LYS49F, LYS65C, LYS66C, LYS66F, MET127C, MET127F, THR123C, THR123F, VAL54C, VAL54F, VAL55C, VAL55F
• C-G: ALA113C, ALA113G, ALA116C, ALA116G, ALA118C, ALA118G, ALA120C, ALA120G, ALA121C, ALA121G, ALA130C, ALA130G, ALA146C, ALA26C, ALA26G, ALA28C, ALA28G, ALA30C, ALA30G, ALA56C, ALA56G, ALA59C, ALA59G, ALA63C, ALA63G, ALA64C, ALA64G, ALA68C, ALA68G, ARG10C, ARG10G, ARG12C, ARG12G, ARG141C, ARG141G, ARG154C, ARG154G, ARG155C, ARG155G, ARG24C, ARG24G, ASP126C, ASP126G, ASP15C, ASP51C, ASP51G, ASP69C, ASP69G, CYS117C, CYS117G, CYS74C, CYS74G, GLN139C, GLN139G, GLN57C, GLN57G, GLU110C, GLU110G, GLU112C, GLU112G, GLU152C, GLU152G, GLU29C, GLU29G, GLU33C, GLU33G, GLY108C, GLY108G, GLY134C, GLY134G, GLY147C, GLY147G, GLY148C, GLY148G, GLY151C, GLY151G, GLY45C, GLY45G, GLY46G, GLY48C, GLY48G, GLY50C, GLY50G, GLY60C, GLY60G, GLY9C, HIS144C, HIS144G, HIS75C, HIS75G, ILE137C, ILE137G, ILE71C, ILE71G, LEU122C, LEU122G, LEU128C, LEU135C, LEU135G, LEU142C, LEU142G, LEU143C, LEU143G, LEU58C, LEU58G, LEU62C, LEU62G, LEU70C, LEU70G, LEU73C, LEU73G, LYS129C, LYS129G, LYS133C, LYS133G, LYS145C, LYS145G, LYS149C, LYS149G, LYS44G, LYS49C, LYS49G, LYS66C, LYS66G, MET111C, MET111G, MET114C, MET114G, MET127C, MET127G, MET13C, MET13G, PHE31C, PHE31G, PRO11C, PRO11G, PRO52C, PRO52G, PRO72C, PRO72G, SER132C, SER132G, SER138C, SER138G, SER150C, SER150G, THR107C, THR107G, THR115C, THR115G, THR123C, THR123G, THR35C, THR35G, THR67C, THR67G, TRP153C, TRP153G, TYR125C, TYR125G, VAL109C, VAL109G, VAL119C, VAL119G, VAL124C, VAL124G, VAL136C, VAL136G, VAL140C, VAL140G, VAL14C, VAL14G, VAL32C, VAL32G, VAL47C, VAL47G, VAL54C, VAL54G, VAL55C, VAL55G
• C-H: ALA105C, ALA59H, ALA64H, ALA68C, ALA99H, ARG10C, ARG12C, ARG24H, ARG85H, ARG96H, ASP15C, ASP69C, ASP69H, CYS74C, GLN57H, GLU106C, GLU112H, GLU18C, GLU21C, GLU21H, GLU83H, GLU87H, GLU98H, GLY81H, GLY9C, HIS75C, ILE61H, ILE71C, LEU53H, LEU58H, LEU62H, LEU70C, LEU73C, LEU77C, LEU77H, LEU79H, LYS102H, LYS104H, LYS19C, LYS65H, LYS66H, MET13C, PHE23H, PRO11C, PRO20C, PRO72C, PRO76C, PRO76H, PRO78C, PRO78H, THR100H, THR103H, THR107C, THR17C, THR22H, THR25H, THR67C, THR67H, THR80H, VAL101H, VAL14C, VAL16C, VAL54H, VAL55H, VAL82H, VAL84H, VAL86H
• C-I: ASP69C, ASP69I, LEU70I
• D-F: ALA113D, ALA113F, ALA116D, ALA116F, ALA118D, ALA118F, ALA120D, ALA120F, ALA121D, ALA121F, ALA130D, ALA130F, ALA26D, ALA26F, ALA28D, ALA28F, ALA30D, ALA30F, ALA56D, ALA56F, ALA59D, ALA59F, ALA63D, ALA63F, ALA64D, ALA64F, ALA68D, ALA68F, ARG10D, ARG10F, ARG12D, ARG12F, ARG141D, ARG141F, ARG154D, ARG154F, ARG155D, ARG155F, ARG24D, ARG24F, ARG94F, ASP126D, ASP126F, ASP15D, ASP51D, ASP51F, ASP69D, ASP69F, CYS117D, CYS117F, CYS74D, CYS74F, GLN139D, GLN139F, GLN57D, GLN57F, GLU110D, GLU110F, GLU112D, GLU112F, GLU152D, GLU152F, GLU29D, GLU29F, GLU33D, GLU33F, GLY108D, GLY108F, GLY134D, GLY134F, GLY147F, GLY148F, GLY151D, GLY151F, GLY45D, GLY45F, GLY46F, GLY48D, GLY48F, GLY50D, GLY50F, GLY60D, GLY60F, GLY9D, HIS144D, HIS75D, HIS75F, ILE137D, ILE137F, ILE71D, ILE71F, LEU122D, LEU122F, LEU128F, LEU135D, LEU135F, LEU142D, LEU142F, LEU143D, LEU143F, LEU58D, LEU58F, LEU62D, LEU62F, LEU70D, LEU70F, LEU73D, LEU73F, LYS129D, LYS129F, LYS133D, LYS133F, LYS145D, LYS145F, LYS149D, LYS149F, LYS44F, LYS49D, LYS49F, LYS65D, LYS66D, LYS66F, MET111D, MET111F, MET114D, MET114F, MET127D, MET127F, MET13D, MET13F, PHE31D, PHE31F, PRO11D, PRO11F, PRO52D, PRO52F, PRO72D, PRO72F, SER132D, SER132F, SER138D, SER138F, SER150D, SER150F, THR107D, THR107F, THR115D, THR115F, THR123D, THR123F, THR27D, THR27F, THR35D, THR35F, THR67D, THR67F, TRP153D, TRP153F, TYR125D, TYR125F, VAL109D, VAL109F, VAL119D, VAL119F, VAL124D, VAL124F, VAL136D, VAL136F, VAL140D, VAL140F, VAL14D, VAL14F, VAL16F, VAL32D, VAL32F, VAL47D, VAL47F, VAL54D, VAL54F, VAL55D, VAL55F
• D-G: ASP69D, ASP69G
• D-H: ALA105D, ALA105H, ALA59D, ALA64D, ALA68H, ALA99D, ARG10H, ARG12H, ARG24D, ARG85D, ARG96D, ASP15H, ASP69H, CYS74H, GLN57D, GLU106H, GLU112D, GLU18H, GLU21D, GLU21H, GLU83D, GLU87D, GLU98D, GLY81D, HIS75H, ILE61D, ILE71H, LEU53D, LEU58D, LEU62D, LEU70H, LEU73H, LEU77D, LEU77H, LEU79D, LYS102D, LYS104D, LYS104H, LYS19H, LYS65D, LYS66D, LYS66H, MET13H, PHE23D, PRO11H, PRO20H, PRO72H, PRO76H, PRO78D, PRO78H, THR100D, THR103D, THR107H, THR17H, THR22D, THR25D, THR67H, THR80D, VAL101D, VAL14H, VAL16H, VAL54D, VAL55D, VAL82D, VAL84D, VAL86D
• D-I: ALA56D, ALA56I, ALA59D, ALA59I, ASP51D, ASP51I, GLN57D, GLN57I, GLY50D, GLY50I, ILE61D, ILE61I, LEU53D, LEU58D, LEU58I, LEU62D, LEU62I, LYS49D, LYS49I, LYS66D, LYS66I, MET127D, MET127I, THR123D, THR123I, VAL54D, VAL54I, VAL55D, VAL55I
• F-G: ALA105F, ALA105G, ALA59F, ALA64F, ALA68G, ARG10G, ARG12G, ARG24F, ARG85F, ASP15G, ASP69F, ASP69G, CYS74G, GLN57F, GLU106G, GLU112F, GLU18G, GLU21F, GLU21G, GLU83F, GLU87F, GLU98F, GLY81F, HIS75G, ILE61F, ILE71G, LEU53F, LEU58F, LEU62F, LEU70G, LEU73G, LEU77F, LEU77G, LEU79F, LYS102F, LYS104F, LYS104G, LYS19G, LYS65F, LYS66F, LYS66G, MET13G, PHE23F, PRO11G, PRO20G, PRO72G, PRO76G, PRO78F, PRO78G, THR100F, THR103F, THR107G, THR17G, THR22F, THR25F, THR67G, THR80F, VAL101F, VAL14G, VAL16G, VAL54F, VAL55F, VAL82F, VAL84F, VAL86F
• F-H: ASP69F, ASP69H
• F-I: ALA105F, ALA105I, ALA59I, ALA64I, ALA68F, ARG10F, ARG12F, ARG24I, ARG85I, ASP15F, ASP69F, ASP69I, CYS74F, GLN57I, GLU106F, GLU112I, GLU18F, GLU21F, GLU21I, GLU83I, GLY81I, HIS75F, ILE61I, ILE71F, LEU58I, LEU62I, LEU70F, LEU73F, LEU77F, LEU77I, LEU79I, LYS102I, LYS104I, LYS19F, LYS65I, LYS66F, LYS66I, MET13F, PHE23I, PRO11F, PRO20F, PRO72F, PRO76F, PRO78F, PRO78I, THR100I, THR103I, THR107F, THR17F, THR22I, THR25I, THR67F, THR80I, VAL101I, VAL14F, VAL16F, VAL54I, VAL55I, VAL82I, VAL84I, VAL86I
• G-H: ALA56G, ALA56H, ALA59G, ALA59H, ASP51G, ASP51H, GLN57G, GLN57H, GLY50G, GLY50H, ILE61G, ILE61H, LEU58G, LEU58H, LEU62G, LEU62H, LYS49G, LYS49H, LYS66G, LYS66H, MET127G, MET127H, THR123G, THR123H, VAL54G, VAL54H, VAL55G, VAL55H
• G-I: ALA105I, ALA59G, ALA64G, ALA68I, ARG10I, ARG12I, ARG24G, ARG85G, ASP15I, ASP69G, ASP69I, CYS74I, GLN57G, GLU106I, GLU112G, GLU18I, GLU21G, GLU21I, GLU83G, GLU87G, GLY81G, GLY9I, HIS75I, ILE61G, ILE71I, LEU53G, LEU58G, LEU62G, LEU70I, LEU73I, LEU77G, LEU77I, LEU79G, LYS102G, LYS104G, LYS19I, LYS65G, LYS66G, MET13I, PHE23G, PRO11I, PRO20I, PRO72I, PRO76I, PRO78G, PRO78I, THR100G, THR103G, THR107I, THR17I, THR22G, THR25G, THR67I, THR80G, VAL101G, VAL14I, VAL16I, VAL54G, VAL55G, VAL82G, VAL84G, VAL86G
• H-I: ALA113H, ALA113I, ALA116H, ALA116I, ALA118H, ALA118I, ALA120H, ALA120I, ALA121H, ALA121I, ALA130H, ALA130I, ALA146I, ALA26H, ALA26I, ALA28H, ALA28I, ALA30H, ALA30I, ALA56H, ALA56I, ALA59H, ALA59I, ALA63H, ALA63I, ALA64H, ALA64I, ALA68H, ALA68I, ARG10H, ARG10I, ARG12H, ARG12I, ARG141H, ARG141I, ARG154H, ARG154I, ARG155H, ARG155I, ARG24H, ARG24I, ASP126H, ASP126I, ASP15H, ASP51H, ASP51I, ASP69H, ASP69I, CYS117H, CYS117I, CYS74H, CYS74I, GLN139H, GLN139I, GLN57H, GLN57I, GLU110H, GLU110I, GLU112H, GLU112I, GLU152H, GLU152I, GLU156I, GLU29H, GLU29I, GLU33H, GLU33I, GLY108H, GLY108I, GLY134H, GLY134I, GLY147H, GLY148H, GLY151H, GLY151I, GLY45H, GLY45I, GLY46I, GLY48H, GLY48I, GLY50H, GLY50I, GLY60H, GLY60I, GLY9I, HIS144H, HIS144I, HIS75H, HIS75I, ILE137H, ILE137I, ILE71H, ILE71I, LEU122H, LEU122I, LEU128H, LEU128I, LEU135H, LEU135I, LEU142H, LEU142I, LEU143H, LEU143I, LEU58H, LEU58I, LEU62H, LEU62I, LEU70H, LEU70I, LEU73H, LEU73I, LYS129H, LYS129I, LYS133H, LYS133I, LYS145H, LYS145I, LYS44H, LYS49H, LYS49I, LYS66H, LYS66I, MET111H, MET111I, MET114H, MET114I, MET127H, MET127I, MET13H, MET13I, PHE31H, PHE31I, PRO11H, PRO11I, PRO52H, PRO52I, PRO72H, PRO72I, SER132H, SER132I, SER138H, SER138I, SER150H, SER150I, THR107H, THR107I, THR115H, THR115I, THR123H, THR123I, THR35H, THR35I, THR67H, THR67I, TRP153H, TRP153I, TYR125H, TYR125I, VAL109H, VAL109I, VAL119H, VAL119I, VAL124H, VAL124I, VAL136H, VAL136I, VAL140H, VAL140I, VAL14H, VAL14I, VAL32H, VAL32I, VAL47H, VAL47I, VAL54H, VAL54I, VAL55H, VAL55I