2R3V

the biochemical and structural basis for feedback inhibition of mevalonate kinase and isoprenoid metabolism

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 107
  • Norm. En. per Res.: -2.9879
• Hub Node: A(3)

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	-14.0881	-47.4416	-252.862	-314.3917	106	9	4	11208	4	46	30
A-C	-36.8857	-40.3705	-124.742	-201.9982	88	16	3	6116	1	33	29
A-D	0.0	1.8966	-22.4134	-20.5168	19	0	1	1256	0	0	10
B-D	-8.5231	-16.6779	-150.062	-175.2631	88	11	3	6807	3	34	31
C-D	-18.0183	-39.7828	-261.908	-319.7091	107	7	4	11184	4	44	32

Interface residues

• A-B: ALA262A, ALA262B, ALA270A, ALA270B, ALA307A, ALA307B, ALA313A, ALA313B, ALA324A, ALA324B, ARG253A, ARG253B, ARG277A, ARG277B, ARG323A, ARG323B, ASN301A, ASN301B, ASN306A, ASN306B, ASP269A, ASP269B, ASP299A, ASP299B, ASP316A, ASP316B, CYS275A, CYS275B, GLN290A, GLN290B, GLN302A, GLN302B, GLN317A, GLN317B, GLN320A, GLN320B, GLU259A, GLU259B, GLU274A, GLU274B, GLU289A, GLU289B, GLU295A, GLU295B, GLU296A, GLU296B, GLY309A, GLY309B, GLY311A, GLY311B, HIS303A, HIS303B, HIS304A, HIS304B, HIS312B, HIS328A, HIS328B, ILE260A, ILE260B, ILE268A, ILE268B, ILE271A, ILE271B, ILE298B, LEU254A, LEU264A, LEU264B, LEU265A, LEU265B, LEU273A, LEU273B, LEU292A, LEU292B, LEU294A, LEU294B, LEU297A, LEU297B, LEU305A, LEU305B, LEU308A, LEU308B, LYS256A, LYS256B, MET300A, MET300B, PHE257A, PHE257B, PRO258A, PRO258B, PRO263A, PRO263B, PRO288A, PRO288B, SER267A, SER267B, SER272A, SER272B, THR266A, THR266B, VAL261A, VAL261B, VAL278A, VAL278B, VAL293A, VAL293B, VAL310A
• A-C: ALA111A, ALA213C, ALA229C, ALA245A, ALA248A, ALA285C, ALA287C, ALA374C, ARG106A, ARG176C, ARG194A, ARG226C, ARG244A, ARG277C, ARG66A, ASN175C, ASN199A, ASN242A, ASP170C, ASP172C, ASP71A, GLN191A, GLN290C, GLN87A, GLU193A, GLU281C, GLU284C, GLU289C, GLU296C, GLU86A, GLU89A, GLU93A, GLY192A, GLY198A, GLY211C, GLY212C, GLY280C, GLY283C, GLY373C, GLY376C, HIS197A, ILE196A, LEU107A, LEU110A, LEU182C, LEU224C, LEU246A, LEU279C, LEU292C, LEU70A, LEU91A, LEU97A, LYS179C, LYS225C, LYS90A, LYS92A, MET195A, MET282C, PHE74A, PRO167C, PRO200A, PRO228C, PRO286C, PRO288C, PRO346C, PRO375C, PRO83A, SER223C, SER227C, SER69A, SER73A, SER85A, THR104A, THR178C, THR243A, THR81A, THR82A, THR84A, TRP177C, TRP210C, TYR291C, VAL103A, VAL174C, VAL247A, VAL278C, VAL293C, VAL80A, VAL88A
• A-D: ALA248A, ALA248D, ARG244A, ARG251A, ARG251D, ARG253A, ARG253D, ASN252A, ASN252D, LEU254A, LEU254D, LEU255A, LEU255D, LYS256A, LYS256D, PHE257A, PHE257D, PRO258A, PRO258D
• B-D: ALA111D, ALA213B, ALA229B, ALA245D, ALA248D, ALA285B, ALA287B, ALA374B, ARG106D, ARG121D, ARG176B, ARG194D, ARG226B, ARG244D, ARG277B, ARG66D, ASN175B, ASN199D, ASN242D, ASP170B, ASP172B, ASP71D, CYS173B, GLN191D, GLN290B, GLN87D, GLU193D, GLU281B, GLU284B, GLU289B, GLU86D, GLU89D, GLU93D, GLY192D, GLY198D, GLY211B, GLY212B, GLY280B, GLY283B, GLY373B, GLY376B, HIS197D, ILE196D, ILE379B, LEU107D, LEU110D, LEU168B, LEU182B, LEU224B, LEU246D, LEU279B, LEU70D, LEU75D, LYS169B, LYS179B, LYS225B, LYS90D, LYS92D, MET195D, MET282B, PHE74D, PRO167B, PRO200D, PRO228B, PRO286B, PRO288B, PRO375B, PRO83D, SER223B, SER227B, SER378B, SER69D, SER73D, SER85D, THR104D, THR178B, THR243D, THR81D, THR82D, THR84D, TRP177B, TRP210B, TYR114D, VAL103D, VAL174B, VAL247D, VAL88D, VAL94D
• C-D: ALA262C, ALA262D, ALA270C, ALA270D, ALA307C, ALA307D, ALA313C, ALA313D, ALA324C, ALA324D, ARG253C, ARG253D, ARG277C, ARG277D, ARG323C, ARG323D, ASN301C, ASN301D, ASN306C, ASN306D, ASP269C, ASP269D, ASP299C, ASP299D, ASP316C, ASP316D, CYS275C, CYS275D, GLN290C, GLN290D, GLN302C, GLN302D, GLN317C, GLN317D, GLN320C, GLN320D, GLU259C, GLU259D, GLU274C, GLU274D, GLU289C, GLU289D, GLU295C, GLU295D, GLU296C, GLU296D, GLY249D, GLY309C, GLY309D, GLY311C, GLY311D, HIS303C, HIS303D, HIS304C, HIS304D, HIS312C, HIS312D, HIS328D, ILE260C, ILE260D, ILE268C, ILE268D, ILE271C, ILE271D, ILE298C, LEU254C, LEU254D, LEU264C, LEU264D, LEU265C, LEU265D, LEU273C, LEU273D, LEU292C, LEU292D, LEU294C, LEU294D, LEU297C, LEU297D, LEU305C, LEU305D, LEU308C, LEU308D, LYS256C, LYS256D, MET300C, MET300D, PHE257C, PHE257D, PRO258C, PRO258D, PRO263C, PRO263D, PRO288C, SER267C, SER267D, SER272C, SER272D, THR266C, THR266D, VAL261C, VAL261D, VAL278C, VAL278D, VAL293C, VAL293D, VAL310D