3THS

crystal structure of rat native liver glycine n-methyltransferase complexed with 5-methyltetrahydrofolate pentaglutamate

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 99
  • Norm. En. per Res.: -4.8912
• 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	-111.5625	-94.7901	-634.134	-840.4865	201	29	19	23431	12	67	94
A-C	-128.9212	-46.3553	-255.982	-431.2585	99	18	7	9810	4	8	7
A-D	0.0	0.0	-13.4002	-13.4002	37	0	0	1048	0	6	7
B-C	0.0	0.0	-20.2877	-20.2877	38	0	0	1141	0	6	7
B-D	-154.2131	-53.4028	-276.61	-484.2259	99	17	7	10223	4	8	8
C-D	-105.7055	-83.9533	-621.062	-810.7208	202	24	19	22599	12	64	91

Interface residues

• A-B: ALA106B, ALA115A, ALA115B, ALA13A, ALA13B, ALA141A, ALA141B, ALA14A, ALA14B, ALA22A, ALA22B, ALA26A, ALA26B, ALA27A, ALA27B, ALA64A, ALA64B, ALA86A, ALA86B, ARG101A, ARG101B, ARG102A, ARG102B, ARG239A, ARG239B, ARG28A, ARG28B, ARG6A, ARG6B, ARG8A, ARG8B, ARG98A, ARG98B, ASN100A, ASN100B, ASN116A, ASN116B, ASN138A, ASN138B, ASP108A, ASP108B, ASP19A, ASP19B, ASP219A, ASP219B, ASP23A, ASP23B, ASP62A, ASP62B, ASP70A, ASP70B, ASP85A, ASP85B, ASP88A, ASP88B, CYS135A, CYS135B, CYS65A, CYS65B, GLN20A, GLN20B, GLN31A, GLN31B, GLU104A, GLU104B, GLU113A, GLU113B, GLU114A, GLU114B, GLU15A, GLU15B, GLU25A, GLU25B, GLU97B, GLY11A, GLY11B, GLY137A, GLY137B, GLY16A, GLY16B, GLY24A, GLY24B, GLY66A, GLY66B, GLY68A, GLY68B, HIS142A, HIS142B, HIS214B, ILE112A, ILE112B, ILE160A, ILE160B, ILE17A, ILE17B, ILE34A, ILE34B, LEU10A, LEU10B, LEU118A, LEU118B, LEU120A, LEU120B, LEU136A, LEU136B, LEU143A, LEU143B, LEU207A, LEU218A, LEU218B, LEU240A, LEU240B, LEU91A, LEU91B, LEU95A, LEU95B, LYS103A, LYS103B, LYS109A, LYS109B, LYS237A, LYS237B, LYS89A, LYS89B, LYS92A, LYS92B, LYS96A, LYS96B, MET215A, MET215B, MET90A, MET90B, PHE107A, PHE107B, PHE140A, PHE140B, PHE238A, PHE238B, PRO105A, PRO105B, PRO144A, PRO144B, PRO18A, PRO18B, SER139A, SER139B, SER146B, SER205A, SER241A, SER241B, SER87A, SER87B, SER9A, SER9B, THR119B, THR204A, THR217A, THR217B, THR37A, THR37B, THR67A, THR67B, THR7A, THR7B, TRP110A, TRP110B, TRP117A, TRP117B, TRP30A, TRP30B, TRP99A, TRP99B, TYR21A, TYR21B, TYR220A, TYR220B, TYR242A, TYR242B, TYR33A, TYR33B, TYR5A, TYR5B, TYR93A, TYR93B, VAL111A, VAL111B, VAL12A, VAL12B, VAL206A, VAL216A, VAL216B, VAL29A, VAL29B, VAL4A, VAL4B, VAL63A, VAL63B, VAL69A, VAL69B, VAL84A, VAL84B
• A-C: ALA13A, ALA13C, ALA14A, ALA14C, ALA186A, ALA186C, ALA213A, ALA213C, ALA22A, ALA22C, ARG239A, ARG239C, ARG6A, ARG6C, ARG8A, ARG8C, ASN210A, ASN210C, ASN211A, ASN211C, ASP19A, ASP19C, ASP201A, ASP201C, ASP219A, ASP219C, ASP23A, ASP23C, ASP2A, ASP2C, CYS185A, CYS185C, GLN20A, GLN20C, GLY11A, GLY11C, GLY16A, GLY16C, GLY184A, GLY184C, HIS214A, HIS214C, ILE17A, ILE17C, ILE180A, ILE180C, ILE202A, ILE202C, LEU10A, LEU10C, LEU181A, LEU181C, LEU207A, LEU207C, LEU218A, LEU218C, LYS212A, LYS212C, MET215A, MET215C, PRO18A, PRO18C, SER182A, SER182C, SER205A, SER205C, SER3A, SER3C, SER9A, SER9C, THR183A, THR183C, THR203A, THR203C, THR204A, THR204C, THR208A, THR208C, THR217A, THR217C, THR7A, THR7C, TYR179A, TYR21A, TYR21C, TYR5A, TYR5C, VAL12A, VAL12C, VAL1A, VAL1C, VAL206A, VAL206C, VAL209A, VAL209C, VAL216A, VAL216C, VAL4A, VAL4C
• A-D: ARG239A, ARG239D, ASN116D, ASP145A, ASP145D, ASP2A, ASP2D, GLU152A, GLU152D, HIS142A, HIS142D, HIS214A, HIS214D, LEU10A, LEU10D, LEU118D, LEU143A, LEU143D, LEU207A, LEU207D, MET215A, MET215D, PRO144A, PRO144D, SER146A, SER146D, SER241A, SER241D, SER3A, SER3D, THR217A, TYR5A, TYR5D, VAL1A, VAL1D, VAL4A, VAL4D
• B-C: ARG239B, ARG239C, ASN116B, ASN116C, ASP145B, ASP145C, ASP2B, ASP2C, HIS142B, HIS142C, HIS214B, HIS214C, LEU10B, LEU10C, LEU118B, LEU143B, LEU143C, LEU207B, LEU207C, MET215B, MET215C, PRO144B, PRO144C, SER146B, SER146C, SER241B, SER241C, SER3B, SER3C, THR208B, THR208C, TYR5B, TYR5C, VAL1B, VAL1C, VAL209B, VAL209C, VAL4C
• B-D: ALA13B, ALA13D, ALA14B, ALA14D, ALA186B, ALA186D, ALA213B, ALA213D, ALA22B, ALA22D, ARG239B, ARG239D, ARG6B, ARG6D, ARG8B, ARG8D, ASN210B, ASN210D, ASN211B, ASN211D, ASP19B, ASP19D, ASP201B, ASP201D, ASP219B, ASP219D, ASP23B, ASP23D, ASP2B, ASP2D, CYS185B, CYS185D, GLN20B, GLN20D, GLY11B, GLY11D, GLY16B, GLY16D, GLY184B, GLY184D, HIS214B, HIS214D, ILE17B, ILE17D, ILE180B, ILE180D, ILE202B, ILE202D, LEU10B, LEU10D, LEU181B, LEU181D, LEU207B, LEU207D, LEU218B, LEU218D, LYS212B, LYS212D, MET215B, MET215D, PRO18B, PRO18D, SER182B, SER182D, SER205B, SER205D, SER3B, SER3D, SER9B, SER9D, THR183B, THR183D, THR203B, THR203D, THR204B, THR204D, THR208B, THR208D, THR217B, THR217D, THR7B, THR7D, TYR179D, TYR21B, TYR21D, TYR5B, TYR5D, VAL12B, VAL12D, VAL1B, VAL1D, VAL206B, VAL206D, VAL209B, VAL209D, VAL216B, VAL216D, VAL4B, VAL4D
• C-D: ALA106C, ALA115C, ALA115D, ALA13C, ALA13D, ALA141C, ALA141D, ALA14C, ALA14D, ALA22C, ALA22D, ALA26C, ALA26D, ALA27C, ALA27D, ALA64C, ALA64D, ALA86C, ALA86D, ARG101C, ARG101D, ARG102C, ARG102D, ARG239C, ARG239D, ARG28C, ARG28D, ARG6C, ARG6D, ARG8C, ARG8D, ARG98C, ARG98D, ASN100C, ASN100D, ASN116C, ASN116D, ASN138C, ASN138D, ASP108C, ASP108D, ASP19C, ASP19D, ASP219C, ASP219D, ASP23C, ASP23D, ASP62C, ASP62D, ASP70C, ASP70D, ASP85C, ASP85D, ASP88C, ASP88D, CYS135C, CYS135D, CYS65C, CYS65D, GLN20C, GLN20D, GLN31C, GLN31D, GLU104C, GLU104D, GLU113C, GLU113D, GLU114C, GLU114D, GLU15C, GLU15D, GLU25C, GLU25D, GLY11C, GLY11D, GLY137C, GLY137D, GLY16C, GLY16D, GLY24C, GLY24D, GLY66C, GLY66D, GLY68C, GLY68D, HIS142C, HIS142D, HIS214D, ILE112C, ILE112D, ILE160C, ILE160D, ILE17C, ILE17D, ILE34C, ILE34D, LEU10C, LEU10D, LEU118C, LEU118D, LEU120C, LEU120D, LEU136C, LEU136D, LEU143C, LEU143D, LEU207C, LEU207D, LEU218C, LEU218D, LEU240C, LEU240D, LEU91C, LEU91D, LEU95C, LEU95D, LYS103C, LYS103D, LYS109C, LYS109D, LYS237C, LYS237D, LYS89C, LYS89D, LYS92C, LYS92D, LYS96C, LYS96D, MET215C, MET215D, MET90C, MET90D, PHE107C, PHE107D, PHE140C, PHE140D, PHE238C, PHE238D, PRO105C, PRO105D, PRO144C, PRO144D, PRO18C, PRO18D, SER139C, SER139D, SER146D, SER205D, SER241C, SER241D, SER87C, SER87D, SER9C, SER9D, THR119D, THR203D, THR204D, THR217C, THR217D, THR37C, THR37D, THR67C, THR67D, THR7C, THR7D, TRP110C, TRP110D, TRP117C, TRP117D, TRP30C, TRP30D, TRP99C, TRP99D, TYR21C, TYR21D, TYR220C, TYR220D, TYR242C, TYR242D, TYR33C, TYR33D, TYR5C, TYR5D, TYR93C, TYR93D, VAL111C, VAL111D, VAL12C, VAL12D, VAL206D, VAL216C, VAL216D, VAL29C, VAL29D, VAL4C, VAL4D, VAL63C, VAL63D, VAL69C, VAL69D, VAL84C, VAL84D