2GVC

crystal structure of flavin-containing monooxygenase (fmo)from s.pombe and substrate (methimazole) complex

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 30
  • Norm. En. per Res.: -3.08
• Hub Node: A(1)

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	-12.7688	-39.7457	-383.335	-435.8495	176	15	14	17115	4	42	48
B-E	-28.5394	-21.0367	-42.8239	-92.4	30	2	0	1501	4	16	17
D-E	-16.8224	-39.2546	-382.848	-438.9249	176	16	13	16876	3	42	47

Interface residues

• A-B: ALA135A, ALA135B, ALA157A, ALA157B, ALA235A, ALA235B, ALA75A, ALA75B, ALA76A, ALA76B, ARG114A, ARG114B, ARG122A, ARG122B, ARG205A, ARG205B, ARG283A, ARG283B, ARG40A, ARG40B, ARG86A, ARG86B, ASN48A, ASN48B, ASN55A, ASN55B, ASP282A, ASP282B, ASP87A, ASP87B, GLN107A, GLN107B, GLN118A, GLN118B, GLN121A, GLN121B, GLN126A, GLN126B, GLN89A, GLN89B, GLU119A, GLU119B, GLU206A, GLU206B, GLU208A, GLU208B, GLU213A, GLU213B, GLU38A, GLU38B, GLY154A, GLY154B, GLY196A, GLY196B, GLY212A, GLY212B, GLY41A, GLY41B, GLY44A, GLY44B, GLY73A, GLY73B, HIS113A, HIS113B, HIS115A, HIS115B, HIS200A, HIS200B, ILE117A, ILE117B, ILE123A, ILE123B, ILE132A, ILE132B, ILE71A, ILE71B, LEU109A, LEU109B, LEU129A, LEU129B, LEU134A, LEU134B, LEU199A, LEU199B, LEU203A, LEU203B, LEU209A, LEU209B, LEU53A, LEU53B, LEU57A, LEU57B, LEU77A, LEU77B, LEU88A, LEU88B, LYS105A, LYS105B, LYS133A, LYS133B, LYS156A, LYS156B, LYS56A, LYS56B, PHE104A, PHE104B, PHE111A, PHE111B, PHE204A, PHE204B, PHE210A, PHE210B, PHE440A, PHE440B, PHE441A, PHE441B, PRO106A, PRO106B, PRO112A, PRO112B, PRO195A, PRO195B, PRO207A, PRO207B, PRO43A, PRO43B, PRO74A, PRO74B, PRO78A, PRO78B, PRO81A, PRO81B, SER159A, SER159B, SER197A, SER197B, SER214A, SER214B, SER42A, SER42B, SER51A, SER51B, SER54A, SER54B, SER82A, SER82B, THR108A, THR108B, THR116A, THR116B, THR136A, THR136B, THR155A, THR155B, THR50A, THR50B, THR52A, THR52B, TRP47A, TRP47B, TYR120A, TYR120B, TYR49A, TYR49B, TYR80A, TYR80B, VAL194A, VAL194B, VAL198A, VAL198B, VAL211A, VAL211B, VAL234A, VAL234B, VAL79A, VAL79B
• B-E: ALA30B, ALA30E, ARG7B, ARG7E, ASP145B, ASP145E, ASP167B, ASP167E, ASP32B, ASP32E, GLN33B, GLN33E, GLY146B, GLY146E, ILE165B, ILE165E, ILE6B, ILE6E, LEU3B, LEU3E, LYS29B, LYS29E, LYS8B, LYS8E, PHE31B, PHE31E, SER147B, SER147E, THR5B, THR5E
• D-E: ALA135D, ALA135E, ALA157D, ALA157E, ALA235D, ALA235E, ALA75D, ALA75E, ALA76D, ALA76E, ARG114D, ARG114E, ARG122D, ARG122E, ARG205D, ARG205E, ARG283D, ARG283E, ARG40D, ARG40E, ARG86D, ARG86E, ASN48D, ASN48E, ASN55D, ASN55E, ASP282D, ASP282E, ASP87D, ASP87E, GLN107D, GLN107E, GLN118D, GLN118E, GLN121D, GLN121E, GLN126D, GLN126E, GLN89D, GLN89E, GLU119D, GLU119E, GLU206D, GLU206E, GLU208D, GLU208E, GLU213D, GLU213E, GLU38D, GLU38E, GLY154D, GLY154E, GLY196D, GLY196E, GLY212D, GLY212E, GLY41D, GLY41E, GLY44D, GLY44E, GLY73D, GLY73E, HIS113D, HIS113E, HIS115D, HIS115E, HIS200D, HIS200E, ILE117D, ILE117E, ILE123D, ILE123E, ILE132D, ILE132E, ILE71D, ILE71E, LEU109D, LEU109E, LEU129D, LEU129E, LEU134D, LEU134E, LEU199D, LEU199E, LEU203D, LEU203E, LEU209D, LEU209E, LEU53D, LEU53E, LEU57D, LEU57E, LEU77D, LEU77E, LEU88D, LEU88E, LYS105D, LYS105E, LYS133D, LYS133E, LYS156D, LYS156E, LYS56D, LYS56E, PHE104D, PHE104E, PHE111D, PHE111E, PHE204D, PHE204E, PHE210D, PHE210E, PHE440D, PHE440E, PHE441D, PHE441E, PRO106D, PRO106E, PRO112D, PRO112E, PRO195D, PRO195E, PRO207D, PRO207E, PRO43D, PRO43E, PRO74D, PRO74E, PRO78D, PRO78E, PRO81D, PRO81E, SER159D, SER159E, SER197D, SER197E, SER214D, SER214E, SER42D, SER42E, SER51D, SER51E, SER54D, SER54E, SER82D, SER82E, THR108D, THR108E, THR116D, THR116E, THR136D, THR136E, THR155D, THR155E, THR50D, THR50E, THR52D, THR52E, TRP47D, TRP47E, TYR120D, TYR120E, TYR49D, TYR49E, TYR80D, TYR80E, VAL194D, VAL194E, VAL198D, VAL198E, VAL211D, VAL211E, VAL234D, VAL234E, VAL79D, VAL79E