2A59

structure of 6,7-dimethyl-8-ribityllumazine synthase from schizosaccharomyces pombe mutant w27y with bound ligand 5- nitroso-6-ribitylamino-2,4(1h,3h)-pyrimidinedione

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 98
  • Norm. En. per Res.: -3.1979
• 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	-33.6214	-13.3465	-268.49	-315.4579	101	18	4	11404	6	20	23
A-C	0.0	0.0	-0.4431	-0.4431	8	0	0	38	0	2	7
A-D	0.0	0.0	-0.4285	-0.4285	8	0	0	37	0	2	7
A-E	-31.1007	-15.2918	-272.431	-318.8235	103	20	4	11498	7	20	23
B-C	-33.2341	-11.3659	-273.617	-318.217	102	15	4	11501	6	20	23
B-D	0.0	0.0	-0.4119	-0.4119	8	0	0	36	0	2	7
B-E	0.0	0.0	-0.3928	-0.3928	8	0	0	35	0	2	6
C-D	-32.0758	-12.7614	-266.683	-311.5202	100	15	4	11369	7	20	23
C-E	0.0	0.0	-0.4162	-0.4162	8	0	0	37	0	2	7
D-E	-33.2459	-10.5738	-269.575	-313.3947	98	16	4	11334	6	20	23

Interface residues

• A-B: ALA101A, ALA101B, ALA130A, ALA149A, ALA150A, ALA157A, ALA71B, ARG108A, ARG108B, ARG133A, ARG26B, ARG70B, ARG75B, ASN126A, ASP112A, ASP112B, ASP145A, GLN129A, GLN67B, GLU100A, GLU100B, GLU152A, GLU57B, GLU64B, GLU96A, GLU96B, GLY105A, GLY105B, GLY110A, GLY110B, GLY114A, GLY120A, GLY154A, GLY61B, GLY68B, GLY83A, GLY90B, HIS104A, HIS104B, HIS140A, HIS142A, HIS24B, HIS94A, HIS94B, ILE118A, ILE69B, ILE98A, ILE98B, LEU106A, LEU106B, LEU111A, LEU119A, LEU121A, LEU122A, LEU125A, LEU13A, LEU158A, LEU65B, LEU87A, LYS156A, LYS89A, LYS89B, MET107A, MET107B, MET153A, MET93A, MET93B, PHE95A, PHE95B, PRO116A, PRO60B, PRO66B, SER113A, SER148A, SER58B, SER62B, SER72B, SER91B, SER99A, SER99B, THR123A, THR92B, TRP146A, TRP63B, TYR132A, TYR27B, TYR97A, TYR97B, VAL102A, VAL102B, VAL103A, VAL103B, VAL109A, VAL109B, VAL115A, VAL117A, VAL124A, VAL151A, VAL23B, VAL59B, VAL81A
• A-C: ALA101C, ARG108C, GLU100A, GLU100C, HIS104A, HIS104C, LEU111A, TYR97C
• A-D: ALA101A, ARG108A, GLU100A, GLU100D, HIS104A, HIS104D, LEU111D, TYR97A
• A-E: ALA101A, ALA101E, ALA130E, ALA149E, ALA150E, ALA157E, ALA25A, ALA71A, ARG108A, ARG108E, ARG133E, ARG26A, ARG70A, ARG75A, ASN126E, ASP112A, ASP112E, ASP145E, GLN129E, GLN67A, GLU100A, GLU100E, GLU152E, GLU57A, GLU64A, GLU96A, GLU96E, GLY105A, GLY105E, GLY110A, GLY110E, GLY114E, GLY120E, GLY154E, GLY61A, GLY68A, GLY83E, GLY90A, HIS104A, HIS104E, HIS140E, HIS142E, HIS24A, HIS94A, HIS94E, ILE118E, ILE56A, ILE69A, ILE98A, ILE98E, LEU106A, LEU106E, LEU111E, LEU119E, LEU121E, LEU122E, LEU125E, LEU13E, LEU158E, LEU65A, LEU87E, LYS156E, LYS89A, LYS89E, MET107A, MET107E, MET153E, MET93A, MET93E, PHE95A, PHE95E, PRO116E, PRO60A, PRO66A, SER113E, SER148E, SER58A, SER62A, SER72A, SER91A, SER99A, SER99E, THR123E, THR92A, TRP146E, TRP63A, TYR132E, TYR27A, TYR97A, TYR97E, VAL102A, VAL102E, VAL103A, VAL103E, VAL109A, VAL109E, VAL115E, VAL117E, VAL124E, VAL151E, VAL23A, VAL59A, VAL81E
• B-C: ALA101B, ALA101C, ALA130B, ALA149B, ALA150B, ALA157B, ALA71C, ARG108B, ARG108C, ARG133B, ARG26C, ARG70C, ARG75C, ASN126B, ASP112B, ASP112C, ASP145B, GLN129B, GLN67C, GLU100B, GLU100C, GLU152B, GLU57C, GLU64C, GLU96B, GLU96C, GLY105B, GLY105C, GLY110B, GLY110C, GLY114B, GLY120B, GLY154B, GLY61C, GLY68C, GLY83B, GLY90C, HIS104B, HIS104C, HIS140B, HIS142B, HIS24C, HIS94B, HIS94C, ILE118B, ILE56C, ILE69C, ILE98B, ILE98C, LEU106B, LEU106C, LEU111B, LEU119B, LEU121B, LEU122B, LEU125B, LEU13B, LEU158B, LEU65C, LEU87B, LYS156B, LYS89B, LYS89C, MET107B, MET107C, MET153B, MET93B, MET93C, PHE95B, PHE95C, PRO116B, PRO60C, PRO66C, SER113B, SER148B, SER58C, SER62C, SER72C, SER91C, SER99B, SER99C, THR123B, THR92C, TRP146B, TRP63C, TYR132B, TYR27C, TYR97B, TYR97C, VAL102B, VAL102C, VAL103B, VAL103C, VAL109B, VAL109C, VAL115B, VAL117B, VAL124B, VAL151B, VAL23C, VAL59C, VAL81B
• B-D: ALA101D, ARG108D, GLU100B, GLU100D, HIS104B, HIS104D, LEU111B, TYR97D
• B-E: ALA101B, ARG108B, GLU100B, GLU100E, HIS104B, HIS104E, LEU111E, TYR97B
• C-D: ALA101C, ALA101D, ALA130C, ALA149C, ALA150C, ALA157C, ALA71D, ARG108C, ARG108D, ARG133C, ARG26D, ARG70D, ARG75D, ASN126C, ASP112C, ASP112D, ASP145C, GLN129C, GLN67D, GLU100C, GLU100D, GLU152C, GLU57D, GLU64D, GLU96C, GLU96D, GLY105C, GLY105D, GLY110C, GLY110D, GLY114C, GLY120C, GLY154C, GLY61D, GLY68D, GLY83C, GLY90D, HIS104C, HIS104D, HIS140C, HIS142C, HIS24D, HIS94D, ILE118C, ILE56D, ILE69D, ILE98C, ILE98D, LEU106C, LEU106D, LEU111C, LEU119C, LEU121C, LEU122C, LEU125C, LEU13C, LEU158C, LEU65D, LEU87C, LYS156C, LYS89C, LYS89D, MET107C, MET107D, MET153C, MET93D, PHE95C, PHE95D, PRO116C, PRO60D, PRO66D, SER113C, SER148C, SER58D, SER62D, SER72D, SER91D, SER99C, SER99D, THR123C, THR92D, TRP146C, TRP63D, TYR132C, TYR27D, TYR97C, TYR97D, VAL102C, VAL102D, VAL103C, VAL103D, VAL109C, VAL109D, VAL115C, VAL117C, VAL124C, VAL151C, VAL23D, VAL59D, VAL81C
• C-E: ALA101E, ARG108E, GLU100C, GLU100E, HIS104C, HIS104E, LEU111C, TYR97E
• D-E: ALA101D, ALA101E, ALA130D, ALA149D, ALA150D, ALA157D, ALA71E, ARG108D, ARG108E, ARG133D, ARG26E, ARG70E, ARG75E, ASN126D, ASP112D, ASP112E, ASP145D, GLN129D, GLN67E, GLU100D, GLU100E, GLU152D, GLU57E, GLU64E, GLU96D, GLU96E, GLY105D, GLY105E, GLY110D, GLY110E, GLY114D, GLY120D, GLY61E, GLY68E, GLY83D, GLY90E, HIS104D, HIS104E, HIS140D, HIS142D, HIS24E, HIS94E, ILE118D, ILE69E, ILE98D, ILE98E, LEU106D, LEU106E, LEU111D, LEU119D, LEU121D, LEU122D, LEU125D, LEU13D, LEU158D, LEU65E, LEU87D, LYS156D, LYS89D, LYS89E, MET107D, MET107E, MET153D, MET93E, PHE95D, PHE95E, PRO116D, PRO60E, PRO66E, SER113D, SER148D, SER58E, SER62E, SER72E, SER91E, SER99D, SER99E, THR123D, THR92E, TRP146D, TRP63E, TYR132D, TYR27E, TYR97D, TYR97E, VAL102D, VAL102E, VAL103D, VAL103E, VAL109D, VAL109E, VAL115D, VAL117D, VAL124D, VAL151D, VAL23E, VAL59E, VAL81D