3FSU

crystal structure of escherichia coli methylenetetrahydrofolate reductase double mutant phe223leuglu28gln complexed with methyltetrahydrofolate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 130
  • Norm. En. per Res.: -3.4532
• Hub Node: A(2)

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-C	-54.2388	-33.0082	-164.293	-251.5401	81	10	3	6657	9	37	36
A-E	0.0	0.0	-33.8889	-33.8889	33	0	2	1652	1	8	6
C-E	-69.6918	-25.3603	-353.87	-448.922	130	24	13	14765	5	54	34

Interface residues

• A-C: ALA11A, ALA159C, ALA162C, ALA164C, ALA177A, ALA17A, ALA180A, ALA201A, ALA201C, ALA233C, ARG171C, ARG179A, ARG193A, ARG193C, ARG195A, ARG197A, ARG197C, ARG230C, ARG266A, ASN168C, ASN178A, ASN228C, ASP165C, ASP187C, ASP196A, ASP196C, ASP204A, ASP271A, CYS198A, CYS198C, GLN14A, GLN163C, GLN20A, GLN22A, GLN8A, GLU154C, GLU189C, GLU18A, GLU206A, GLU267A, GLY202A, GLY202C, GLY268A, ILE203A, ILE203C, ILE207A, ILE231C, ILE23A, LEU12A, LEU166A, LEU166C, LEU167C, LEU16A, LEU192A, LEU192C, LYS160C, LYS170A, LYS170C, LYS270A, MET235C, PHE194A, PHE194C, PRO153C, PRO232C, SER15A, SER161C, SER190C, SER200A, SER200C, SER265A, TRP234C, TYR191A, TYR191C, VAL155C, VAL173A, VAL188C, VAL199A, VAL19A, VAL205A, VAL229C, VAL269A
• A-E: ALA11A, ALA11E, ALA17A, ALA17E, ALA6A, ALA6E, ARG266A, ARG266E, ARG9A, ARG9E, ASN13A, ASN13E, ASP10A, ASP10E, GLN14A, GLN14E, GLN8A, GLN8E, GLU18A, GLU18E, GLU267A, GLU267E, HIS5E, LEU12A, LEU12E, PHE3A, PHE3E, PHE4A, PHE4E, SER15A, SER15E, SER7A, SER7E
• C-E: ALA11E, ALA17E, ALA233C, ALA236C, ALA236E, ALA246C, ALA246E, ALA254C, ALA254E, ALA257C, ALA257E, ALA280C, ALA280E, ALA285C, ALA285E, ALA6E, ARG193C, ARG195C, ARG197C, ARG249C, ARG249E, ARG266C, ARG293C, ARG293E, ARG47C, ARG47E, ARG9E, ASN13E, ASN255C, ASN255E, ASP10E, ASP187C, ASP196C, ASP240C, ASP240E, ASP243C, ASP243E, ASP244C, ASP244E, ASP245C, ASP245E, ASP259C, ASP259E, CYS287C, CYS287E, GLN14E, GLN20E, GLN237C, GLN237E, GLN8E, GLU189C, GLU18E, GLU247C, GLU247E, GLU267C, GLU281C, GLU281E, GLY21E, GLY241C, GLY241E, GLY253C, GLY253E, GLY291C, GLY291E, HIS288C, HIS288E, HIS5E, ILE256C, ILE256E, ILE263C, ILE286C, ILE286E, LEU12E, LEU16E, LEU192C, LEU242C, LEU242E, LEU251C, LEU251E, LEU264C, LEU290C, LEU290E, LEU51C, LYS250C, LYS250E, LYS262C, LYS262E, MET235C, MET235E, MET238C, MET238E, MET258C, MET258E, MET260C, MET260E, MET282C, MET282E, PHE185C, PHE186C, PHE194C, PHE239C, PHE239E, PHE3E, PHE4E, PRO213C, PRO213E, PRO232C, PRO294C, PRO294E, SER15E, SER190C, SER283C, SER283E, SER7E, THR248C, THR248E, THR289C, THR289E, TRP234C, TRP234E, TYR191C, TYR284C, TYR284E, VAL188C, VAL19E, VAL252C, VAL252E, VAL261C, VAL261E, VAL292E