1NBI

structure of r175k mutated glycine n-methyltransferase complexed with s-adenosylmethionine, r175k:sam.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 60
  • Norm. En. per Res.: -4.9752
• 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-B	-36.6269	-135.0657	-126.819	-298.5115	60	12	1	4615	16	44	49
A-D	-60.6751	0.0	-112.639	-173.3141	52	9	1	4343	0	2	1
B-C	-54.1804	0.0	-98.9029	-153.0833	52	6	1	4062	0	2	0
C-D	-51.8346	-132.2909	-102.778	-286.9035	62	20	1	4706	12	49	52

Interface residues

• A-B: ALA106B, ALA22A, ALA22B, ALA86A, ALA86B, ARG101A, ARG101B, ARG102A, ARG102B, ARG98A, ARG98B, ASN100A, ASN100B, ASP108A, ASP108B, ASP19A, ASP19B, ASP23A, ASP23B, ASP88A, ASP88B, GLU104A, GLU104B, GLU113A, GLU113B, GLU114A, GLU114B, GLU97A, GLU97B, GLY24A, GLY24B, ILE112A, ILE112B, LEU91A, LEU91B, LEU95A, LEU95B, LYS103A, LYS103B, LYS109A, LYS109B, LYS89A, LYS89B, LYS92A, LYS92B, LYS96A, LYS96B, PHE107A, PHE107B, PRO105B, SER87A, SER87B, TRP110A, TRP110B, TRP99A, TRP99B, TYR93A, TYR93B, VAL111A, VAL111B
• A-D: ALA186D, ALA213A, ALA213D, ARG239A, ARG239D, ASN210A, ASN210D, ASN211A, ASN211D, ASP201A, ASP219A, ASP219D, CYS185A, CYS185D, GLY184A, GLY184D, HIS214A, HIS214D, ILE180A, ILE180D, ILE202A, ILE202D, LEU181A, LEU181D, LEU207A, LEU207D, LEU218A, LEU218D, LYS212A, LYS212D, MET215A, MET215D, SER182A, SER182D, SER205A, SER205D, THR183A, THR183D, THR203A, THR203D, THR204A, THR204D, THR208A, THR208D, THR217A, THR217D, VAL206A, VAL206D, VAL209A, VAL209D, VAL216A, VAL216D
• B-C: ALA186C, ALA213B, ALA213C, ARG239B, ARG239C, ASN210B, ASN210C, ASN211B, ASN211C, ASP201B, ASP219B, ASP219C, CYS185B, CYS185C, GLY184B, GLY184C, HIS214B, HIS214C, ILE180B, ILE180C, ILE202B, ILE202C, LEU181B, LEU181C, LEU207B, LEU207C, LEU218B, LEU218C, LYS212B, LYS212C, MET215B, MET215C, SER182B, SER182C, SER205B, SER205C, THR183B, THR183C, THR203B, THR203C, THR204B, THR204C, THR208B, THR208C, THR217B, THR217C, VAL206B, VAL206C, VAL209B, VAL209C, VAL216B, VAL216C
• C-D: ALA106C, ALA106D, ALA22C, ALA22D, ALA86C, ALA86D, ARG101C, ARG101D, ARG102C, ARG102D, ARG98C, ARG98D, ASN100C, ASN100D, ASP108C, ASP108D, ASP19C, ASP19D, ASP23C, ASP23D, ASP88C, ASP88D, GLU104C, GLU104D, GLU113C, GLU113D, GLU114C, GLU114D, GLU97C, GLU97D, GLY24C, GLY24D, ILE112C, ILE112D, LEU91C, LEU91D, LEU95C, LEU95D, LYS103C, LYS103D, LYS109C, LYS109D, LYS89C, LYS89D, LYS92C, LYS92D, LYS96C, LYS96D, PHE107C, PHE107D, PRO105C, PRO105D, SER87C, SER87D, TRP110C, TRP110D, TRP99C, TRP99D, TYR93C, TYR93D, VAL111C, VAL111D