2B99

crystal structure of an archaeal pentameric riboflavin synthase complex with a substrate analog inhibitor

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 124
  • Norm. En. per Res.: -3.4863
• 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	-27.8183	-23.3506	-297.336	-348.5049	118	17	6	13386	5	45	44
A-C	0.0	0.0	-0.0336	-0.0336	6	0	0	29	0	1	1
A-D	0.0	0.0	-0.033	-0.033	6	0	0	29	0	1	1
A-E	-54.5288	-1.5276	-330.562	-386.6183	124	25	7	14111	6	46	47
B-C	0.0	0.0	-0.0328	-0.0328	6	0	0	29	0	1	1
B-D	-28.5318	-28.0034	-282.404	-338.9392	111	17	6	12456	4	40	44
B-E	0.0	0.0	-0.0306	-0.0306	6	0	0	26	0	1	1
C-D	-64.6594	-21.5962	-346.045	-432.3006	124	19	7	14697	3	46	50
C-E	-52.7332	-18.51	-344.278	-415.5213	126	23	7	14749	3	46	51
D-E	0.0	0.0	-0.0313	-0.0313	6	0	0	28	0	1	1

Interface residues

• A-B: ALA105B, ALA13A, ALA140B, ALA18A, ALA48A, ALA77A, ALA77B, ALA80A, ALA80B, ALA87A, ALA87B, ARG118B, ARG138B, ARG14A, ARG36A, ASN125B, ASN92B, ASP103B, ASP108A, ASP112A, ASP16A, ASP44A, ASP59B, ASP9A, CYS49A, CYS76A, GLN88A, GLN88B, GLU102A, GLU102B, GLU104B, GLU121B, GLU124B, GLU134B, GLU54A, GLU55A, GLU71A, GLU79A, GLU79B, GLU97B, GLY141B, GLY143B, GLY41A, GLY65A, GLY83A, GLY83B, HIS101B, HIS122B, HIS78A, HIS78B, HIS94B, ILE22A, ILE42A, ILE60B, ILE95A, ILE95B, ILE96B, LEU111A, LEU129B, LEU136B, LEU144B, LEU45A, LEU52A, LEU53A, LEU53B, LEU64A, LEU82A, LEU82B, LEU84A, LEU84B, LEU86A, LEU86B, LEU89A, LEU89B, LYS142B, LYS37A, LYS43A, LYS50A, LYS51A, LYS69B, LYS72A, LYS74A, LYS74B, LYS93B, MET139B, MET17A, MET66A, MET85A, MET85B, MET90A, MET90B, PHE12A, PHE99A, PHE99B, PRO133B, PRO40A, PRO46A, PRO67B, SER19A, SER81A, SER81B, THR10A, THR11A, THR137B, THR38A, THR91A, THR91B, TYR128B, TYR135B, VAL100B, VAL126B, VAL15A, VAL39A, VAL47A, VAL75A, VAL75B, VAL8A, VAL98B
• A-C: HIS78A, HIS78C, LEU82A, LEU82C, LEU86A, LEU86C
• A-D: HIS78A, HIS78D, LEU82A, LEU82D, LEU86A, LEU86D
• A-E: ALA13E, ALA140A, ALA18E, ALA48E, ALA70A, ALA70E, ALA77A, ALA77E, ALA80A, ALA80E, ALA87A, ALA87E, ARG118A, ARG138A, ARG145A, ARG14E, ARG36E, ASN125A, ASN92A, ASP103A, ASP16E, ASP44E, ASP59A, ASP73A, ASP73E, ASP9E, CYS49E, CYS76E, GLN146A, GLN88A, GLN88E, GLU102E, GLU104A, GLU121A, GLU124A, GLU134A, GLU54E, GLU55E, GLU71A, GLU71E, GLU79A, GLU79E, GLU97A, GLY141A, GLY143A, GLY147A, GLY41E, GLY68A, GLY68E, GLY83A, GLY83E, HIS101A, HIS122A, HIS78A, HIS78E, HIS94A, ILE22E, ILE42E, ILE60A, ILE95A, ILE95E, ILE96A, LEU111E, LEU129A, LEU136A, LEU144A, LEU45E, LEU52E, LEU53A, LEU53E, LEU64E, LEU82A, LEU82E, LEU84A, LEU84E, LEU86A, LEU86E, LEU89A, LEU89E, LYS142A, LYS37E, LYS43E, LYS50E, LYS51E, LYS69A, LYS69E, LYS72E, LYS74A, LYS74E, LYS93A, MET139A, MET17E, MET66E, MET85A, MET85E, MET90A, MET90E, PHE12E, PHE99A, PHE99E, PRO133A, PRO40E, PRO46E, PRO67A, PRO67E, SER19E, SER81A, SER81E, THR10E, THR11E, THR137A, THR38E, THR91A, THR91E, TYR128A, TYR135A, VAL126A, VAL15E, VAL39E, VAL47E, VAL75A, VAL75E, VAL8E, VAL98A
• B-C: HIS78B, HIS78C, LEU82B, LEU82C, LEU86B, LEU86C
• B-D: ALA13B, ALA140D, ALA18B, ALA48B, ALA77B, ALA77D, ALA80B, ALA80D, ALA87B, ALA87D, ARG118D, ARG138D, ARG14B, ARG36B, ASN125D, ASN92D, ASP103D, ASP108B, ASP16B, ASP44B, ASP59D, ASP9B, CYS49B, CYS76B, GLN88B, GLN88D, GLU104D, GLU121D, GLU124D, GLU134D, GLU54B, GLU55B, GLU71B, GLU79B, GLU79D, GLU97D, GLY141D, GLY143D, GLY41B, GLY65B, GLY83B, GLY83D, HIS101D, HIS122D, HIS78B, HIS78D, HIS94D, ILE22B, ILE42B, ILE60D, ILE95B, ILE95D, ILE96D, LEU111B, LEU129D, LEU136D, LEU45B, LEU52B, LEU53B, LEU53D, LEU64B, LEU82B, LEU82D, LEU84B, LEU84D, LEU86B, LEU86D, LEU89B, LEU89D, LYS142D, LYS37B, LYS43B, LYS50B, LYS51B, LYS72B, LYS74B, LYS74D, LYS93D, MET139D, MET17B, MET66B, MET85B, MET85D, MET90B, MET90D, PHE12B, PHE99B, PHE99D, PRO133D, PRO40B, PRO46B, SER19B, SER81B, SER81D, THR10B, THR11B, THR137D, THR38B, THR91B, THR91D, TYR128D, TYR135D, VAL100D, VAL126D, VAL15B, VAL39B, VAL47B, VAL75B, VAL75D, VAL8B, VAL98D
• B-E: HIS78B, HIS78E, LEU82B, LEU82E, LEU86B, LEU86E
• C-D: ALA13D, ALA140C, ALA151C, ALA18D, ALA48D, ALA77C, ALA77D, ALA80C, ALA80D, ALA87C, ALA87D, ARG118C, ARG138C, ARG145C, ARG14D, ARG36D, ASN125C, ASN92C, ASP103C, ASP108D, ASP112D, ASP150C, ASP16D, ASP44D, ASP59C, ASP73D, ASP9D, CYS49D, CYS76D, GLN146C, GLN88C, GLN88D, GLU102D, GLU104C, GLU121C, GLU124C, GLU134C, GLU54D, GLU55D, GLU71D, GLU79C, GLU79D, GLU97C, GLY141C, GLY143C, GLY152C, GLY41D, GLY68D, GLY83C, GLY83D, HIS101C, HIS122C, HIS78C, HIS78D, HIS94C, ILE22D, ILE42D, ILE60C, ILE7D, ILE95C, ILE95D, ILE96C, LEU111D, LEU129C, LEU136C, LEU144C, LEU45D, LEU52D, LEU53C, LEU53D, LEU64D, LEU82C, LEU82D, LEU84C, LEU84D, LEU86C, LEU86D, LEU89C, LEU89D, LYS116D, LYS142C, LYS37D, LYS43D, LYS50D, LYS51D, LYS69D, LYS72D, LYS74C, LYS74D, LYS93C, MET139C, MET17D, MET66D, MET85C, MET85D, MET90C, MET90D, PHE12D, PHE99C, PHE99D, PRO133C, PRO153C, PRO40D, PRO46D, PRO67D, SER19D, SER81C, SER81D, THR10D, THR11D, THR137C, THR38D, THR91C, THR91D, TYR128C, TYR135C, VAL126C, VAL15D, VAL39D, VAL47D, VAL75C, VAL75D, VAL8D, VAL98C
• C-E: ALA13C, ALA140E, ALA151E, ALA18C, ALA48C, ALA77C, ALA77E, ALA80C, ALA80E, ALA87C, ALA87E, ARG118E, ARG138E, ARG145E, ARG14C, ARG36C, ASN125E, ASN92E, ASP103E, ASP108C, ASP112C, ASP150E, ASP16C, ASP44C, ASP59E, ASP73C, ASP9C, CYS49C, CYS76C, GLN146E, GLN88C, GLN88E, GLU102C, GLU104E, GLU121E, GLU124E, GLU134E, GLU54C, GLU55C, GLU71C, GLU79C, GLU79E, GLU97E, GLY141E, GLY143E, GLY152E, GLY41C, GLY68C, GLY83C, GLY83E, HIS101E, HIS122E, HIS78C, HIS78E, HIS94E, ILE22C, ILE42C, ILE60E, ILE7C, ILE95C, ILE95E, ILE96E, LEU111C, LEU129E, LEU136E, LEU144E, LEU45C, LEU52C, LEU53C, LEU53E, LEU64C, LEU82C, LEU82E, LEU84C, LEU84E, LEU86C, LEU86E, LEU89C, LEU89E, LYS116C, LYS142E, LYS37C, LYS43C, LYS50C, LYS51C, LYS69C, LYS72C, LYS74C, LYS74E, LYS93E, MET139E, MET17C, MET66C, MET85C, MET85E, MET90C, MET90E, PHE12C, PHE99C, PHE99E, PRO133E, PRO153E, PRO40C, PRO46C, PRO67C, PRO67E, SER19C, SER81C, SER81E, THR10C, THR11C, THR137E, THR38C, THR91C, THR91E, TYR128E, TYR135E, VAL100E, VAL126E, VAL15C, VAL39C, VAL47C, VAL75C, VAL75E, VAL8C, VAL98E
• D-E: HIS78D, HIS78E, LEU82D, LEU82E, LEU86D, LEU86E