2F59

lumazine synthase ribh1 from brucella abortus (gene bruab1_0785, swiss-prot entry q57dy1) complexed with inhibitor 5-nitro-6-(d- ribitylamino)-2,4(1h,3h) pyrimidinedione

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 122
  • Norm. En. per Res.: -2.8798
• 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	-9.2825	22.29	-323.014	-310.0065	124	16	10	13430	4	32	37
A-C	0.0	0.0	-0.3021	-0.3021	3	0	0	54	0	4	7
A-D	0.0	0.0	-0.057	-0.057	4	0	0	24	0	4	7
A-E	-11.2836	4.8451	-317.448	-323.8865	123	24	10	13823	3	31	35
B-C	-28.8297	17.4844	-326.046	-337.3913	124	25	9	13476	4	31	36
B-D	0.0	0.0	-0.5389	-0.5389	5	0	0	83	0	3	7
B-E	0.0	0.0	-0.2874	-0.2874	3	0	0	60	0	3	6
C-D	-40.0864	22.9473	-321.059	-338.1981	122	21	9	13436	4	30	37
C-E	0.0	0.0	-0.3033	-0.3033	3	0	0	63	0	3	7
D-E	-41.5005	23.5602	-333.391	-351.3312	122	18	10	13681	3	33	36

Interface residues

• A-B: ALA101A, ALA101B, ALA112A, ALA126A, ALA141A, ALA142A, ALA144A, ALA145A, ALA157A, ALA20B, ALA53B, ALA58B, ALA63B, ALA67B, ARG100A, ARG100B, ARG143A, ARG152A, ARG21B, ARG85A, ARG85B, ASN115A, ASN122A, ASN69B, ASN96A, ASN96B, ASP104A, ASP104B, ASP46B, ASP65B, ASP68B, ASP75A, ASP92A, ASP92B, CYS99A, CYS99B, GLN125A, GLU108A, GLU108B, GLU109A, GLU109B, GLU121A, GLU124A, GLU19B, GLU55B, GLU87B, GLU97A, GLU97B, GLY114A, GLY116A, GLY150A, GLY156A, GLY52B, GLY66B, GLY70B, GLY71B, GLY76A, GLY81A, GLY86B, HIS129A, HIS14B, HIS90B, ILE111A, ILE113A, ILE117A, ILE149A, ILE17B, ILE56B, ILE60B, ILE84A, ILE93A, ILE93B, LEU102A, LEU102B, LEU105A, LEU105B, LEU118A, LEU146A, LEU151A, LEU16B, LEU54B, LEU64B, LYS135A, LYS137A, LYS153A, LYS154A, MET148A, PHE140A, PHE155A, PHE22B, PHE62B, PHE77B, PHE91A, PHE91B, PRO51B, PRO57B, SER106A, SER110A, SER61B, SER95A, SER98A, SER98B, THR103A, THR119A, THR147A, THR49B, THR59B, THR72B, THR82A, THR88B, TYR23B, TYR74B, TYR89A, TYR89B, VAL107A, VAL120A, VAL128A, VAL18B, VAL47B, VAL48B, VAL50B, VAL83A, VAL94A, VAL94B
• A-C: ARG100A, ARG100C, ASP104A
• A-D: ARG100A, ARG100D, ASP104A, ASP104D
• A-E: ALA101A, ALA101E, ALA112E, ALA126E, ALA141E, ALA142E, ALA144E, ALA145E, ALA157E, ALA20A, ALA53A, ALA58A, ALA63A, ALA67A, ARG100A, ARG100E, ARG143E, ARG152E, ARG21A, ARG85A, ARG85E, ASN115E, ASN122E, ASN69A, ASN96A, ASN96E, ASP104A, ASP104E, ASP46A, ASP65A, ASP68A, ASP75E, ASP92A, ASP92E, CYS99A, CYS99E, GLN125E, GLU108A, GLU108E, GLU109A, GLU109E, GLU121E, GLU19A, GLU55A, GLU87A, GLU97A, GLU97E, GLY114E, GLY116E, GLY150E, GLY156E, GLY52A, GLY66A, GLY70A, GLY71A, GLY76E, GLY81E, GLY86A, HIS129E, HIS14A, HIS90A, ILE111E, ILE113E, ILE117E, ILE149E, ILE17A, ILE56A, ILE60A, ILE84E, ILE93A, ILE93E, LEU102A, LEU102E, LEU105A, LEU105E, LEU118E, LEU146E, LEU151E, LEU16A, LEU54A, LEU64A, LYS135E, LYS137E, LYS153E, LYS154E, MET148E, PHE140E, PHE155E, PHE22A, PHE62A, PHE77A, PHE91A, PHE91E, PRO51A, PRO57A, SER106E, SER110E, SER61A, SER95E, SER98A, SER98E, THR103E, THR119E, THR147E, THR49A, THR59A, THR72A, THR82E, THR88A, TYR23A, TYR74A, TYR89A, TYR89E, VAL107E, VAL120E, VAL128E, VAL18A, VAL47A, VAL48A, VAL50A, VAL83E, VAL94A, VAL94E
• B-C: ALA101B, ALA101C, ALA112B, ALA126B, ALA141B, ALA142B, ALA144B, ALA145B, ALA157B, ALA20C, ALA53C, ALA58C, ALA63C, ALA67C, ARG100B, ARG100C, ARG143B, ARG152B, ARG21C, ARG85B, ARG85C, ASN115B, ASN122B, ASN69C, ASN96B, ASN96C, ASP104B, ASP104C, ASP46C, ASP65C, ASP68C, ASP75B, ASP92B, ASP92C, CYS99B, CYS99C, GLN125B, GLU108B, GLU108C, GLU109B, GLU109C, GLU121B, GLU19C, GLU55C, GLU87C, GLU97B, GLU97C, GLY114B, GLY116B, GLY150B, GLY156B, GLY52C, GLY66C, GLY70C, GLY71C, GLY76B, GLY81B, GLY86C, HIS129B, HIS14C, HIS90C, ILE111B, ILE111C, ILE113B, ILE117B, ILE149B, ILE17C, ILE56C, ILE60C, ILE84B, ILE93B, ILE93C, LEU102B, LEU102C, LEU105B, LEU105C, LEU118B, LEU146B, LEU151B, LEU16C, LEU54C, LEU64C, LYS135B, LYS137B, LYS153B, LYS154B, MET148B, PHE140B, PHE155B, PHE22C, PHE62C, PHE77C, PHE91B, PHE91C, PRO51C, PRO57C, SER106B, SER106C, SER110B, SER61C, SER95B, SER98B, SER98C, THR103B, THR119B, THR147B, THR49C, THR59C, THR72C, THR82B, THR88C, TYR23C, TYR74C, TYR89B, TYR89C, VAL107B, VAL120B, VAL18C, VAL47C, VAL48C, VAL50C, VAL83B, VAL94B, VAL94C
• B-D: ARG100B, ARG100D, ARG85B, ASP104B, TYR89D
• B-E: ARG100B, ARG100E, ASP104E
• C-D: ALA101C, ALA101D, ALA112C, ALA126C, ALA141C, ALA144C, ALA145C, ALA157C, ALA20D, ALA53D, ALA58D, ALA63D, ALA67D, ARG100C, ARG100D, ARG143C, ARG152C, ARG21D, ARG85C, ARG85D, ASN115C, ASN122C, ASN69D, ASN96C, ASN96D, ASP104C, ASP104D, ASP46D, ASP65D, ASP68D, ASP75C, ASP92C, ASP92D, CYS99C, CYS99D, GLN125C, GLU108C, GLU108D, GLU109C, GLU109D, GLU121C, GLU124C, GLU19D, GLU55D, GLU87D, GLU97C, GLU97D, GLY114C, GLY116C, GLY150C, GLY156C, GLY52D, GLY66D, GLY70D, GLY71D, GLY76C, GLY86D, HIS129C, HIS14D, HIS90D, ILE111C, ILE113C, ILE117C, ILE149C, ILE17D, ILE56D, ILE60D, ILE84C, ILE93C, ILE93D, LEU102C, LEU102D, LEU105C, LEU105D, LEU118C, LEU146C, LEU151C, LEU16D, LEU54D, LEU64D, LYS135C, LYS137C, LYS153C, LYS154C, MET148C, PHE140C, PHE155C, PHE22D, PHE62D, PHE77D, PHE91C, PHE91D, PRO51D, PRO57D, SER106C, SER110C, SER61D, SER95C, SER98C, SER98D, THR103C, THR119C, THR147C, THR49D, THR59D, THR72D, THR82C, THR88D, TYR23D, TYR74D, TYR89C, TYR89D, VAL107C, VAL120C, VAL128C, VAL18D, VAL47D, VAL48D, VAL50D, VAL83C, VAL94C, VAL94D
• C-E: ARG100C, ARG100E, ASP104C
• D-E: ALA101D, ALA101E, ALA112D, ALA126D, ALA141D, ALA144D, ALA145D, ALA157D, ALA20E, ALA53E, ALA58E, ALA63E, ALA67E, ARG100D, ARG100E, ARG143D, ARG152D, ARG21E, ARG85D, ARG85E, ASN115D, ASN122D, ASN69E, ASN96D, ASN96E, ASP104D, ASP104E, ASP46E, ASP65E, ASP68E, ASP75D, ASP92D, ASP92E, CYS99D, CYS99E, GLN125D, GLU108D, GLU108E, GLU109D, GLU109E, GLU121D, GLU19E, GLU55E, GLU87E, GLU97D, GLU97E, GLY114D, GLY116D, GLY150D, GLY156D, GLY52E, GLY66E, GLY70E, GLY71E, GLY76D, GLY81D, GLY86E, HIS129D, HIS14E, HIS90E, ILE111D, ILE113D, ILE117D, ILE149D, ILE17E, ILE56E, ILE60E, ILE84D, ILE93D, ILE93E, LEU102D, LEU102E, LEU105D, LEU105E, LEU118D, LEU146D, LEU151D, LEU16E, LEU54E, LEU64E, LYS135D, LYS137D, LYS153D, LYS154D, MET148D, PHE140D, PHE155D, PHE22E, PHE62E, PHE77E, PHE91D, PHE91E, PRO51E, PRO57E, SER106D, SER110D, SER61E, SER95D, SER98D, SER98E, THR103D, THR119D, THR147D, THR49E, THR59E, THR72E, THR82D, THR88E, TYR23E, TYR74E, TYR89D, TYR89E, VAL107D, VAL120D, VAL128D, VAL18E, VAL47E, VAL48E, VAL50E, VAL83D, VAL94D, VAL94E