3TDE

crystal structure of s-adenosylmethionine synthetase rv1392 from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 55
  • Norm. En. per Res.: -2.7707
• 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	-37.7515	-27.9112	-471.379	-537.0416	222	11	20	21158	12	55	43
A-C	-50.0592	-4.7809	-97.5492	-152.3893	55	4	5	4258	0	8	10
A-D	-25.6193	23.1403	-144.871	-147.35	57	3	0	5079	0	6	9
B-C	-24.9723	23.0046	-146.592	-148.5597	57	3	0	5112	0	6	9
B-D	-53.2221	-0.3756	-100.784	-154.3817	56	4	5	4464	0	8	10
C-D	-20.1408	-23.8062	-515.071	-559.0179	231	11	21	22620	10	59	48

Interface residues

• A-B: ALA187A, ALA187B, ALA260A, ALA260B, ALA276A, ALA276B, ALA282A, ALA282B, ALA320A, ALA320B, ALA322A, ALA322B, ALA43A, ALA43B, ARG242A, ARG242B, ARG265A, ARG265B, ARG277A, ARG277B, ARG6A, ARG6A5, ARG6B, ASN246A, ASN246B, ASN98A, ASN98B, ASP134A, ASP134B, ASP197A, ASP197B, ASP19A, ASP19B, ASP23A, ASP23B, ASP259A, ASP259B, ASP292A, ASP292B, CB9.61554-28.68161, CYS22A, CYS22B, GLN135A, GLN135B, GLN183A, GLN183B, GLN318A, GLN318B, GLN52A, GLN52B, GLU11A, GLU11B, GLU316A, GLU316B, GLU334A, GLU334B, GLU347A, GLU347B, GLU45A, GLU45B, GLU58A, GLU58B, GLY100A, GLY100B, GLY102A, GLY102B, GLY133A, GLY133B, GLY136A, GLY136B, GLY258A, GLY258B, GLY261A, GLY261B, GLY264A, GLY264B, GLY273A, GLY273B, GLY274A, GLY274B, GLY279A, GLY280A, GLY280B, GLY281A, GLY281B, GLY285A, GLY285B, GLY324A, GLY324B, GLY330A, GLY330B, GLY57A, GLY57B, GLY5B, HIS278A, HIS54A, HIS54B, ILE101A, ILE101B, ILE186A, ILE186B, ILE201A, ILE201B, ILE267A, ILE267B, ILE268A, ILE268B, ILE323A, ILE323B, ILE99A, ILE99B, LEU137A, LEU137B, LEU244A, LEU244B, LEU262A, LEU262B, LEU331A, LEU331B, LEU47A, LEU47B, LEU7A, LEU7B, LYS181A, LYS181B, LYS266A, LYS266B, LYS286A, LYS286B, LYS290A, LYS290B, LYS325A, LYS325B, MET138A, MET138B, MET257A, MET257B, PHE139A, PHE139B, PHE283A, PHE283B, PHE332A, PHE332B, PHE336A, PHE336B, PHE8A, PHE8B, PRO153A, PRO153B, PRO18A, PRO18B, PRO247A, PRO247B, PRO256A, PRO256B, PRO328A, PRO328B, PRO343A, PRO343B, SER10A, SER10B, SER202A, SER202B, SER26A, SER26B, SER284A, SER284B, THR185A, THR185B, THR198A, THR198B, THR248A, THR248B, THR263A, THR263B, THR335A, THR335B, THR46A, THR46B, THR49A, THR49B, THR50A, THR50B, THR9A, THR9B, TRP275A, TRP275B, TYR141A, TYR141B, TYR188A, TYR188B, TYR272A, TYR321A, TYR321B, VAL184A, VAL184B, VAL199A, VAL199B, VAL200A, VAL200B, VAL269A, VAL269B, VAL291B, VAL317A, VAL319A, VAL319B, VAL329A, VAL329B, VAL333A, VAL333B, VAL344A, VAL344B, VAL44A, VAL44B, VAL48A, VAL48B, VAL53A, VAL53B, VAL55A, VAL55B, VAL56A, VAL56B
• A-C: ALA103A, ALA103C, ALA63A, ALA63C, ALA66A, ALA66C, ALA68A, ALA68C, ARG75A, ARG75C, ASN72A, ASN72C, ASN98A, ASN98C, ASP69A, ASP69C, GLN104C, GLN52C, GLU58A, GLU58C, GLU65A, GLU65C, GLY100A, GLY100C, GLY102A, GLY102C, GLY96A, GLY96C, HIS54A, HIS54C, ILE101A, ILE101C, ILE70A, ILE70C, ILE99A, ILE99C, LEU33A, LEU33C, LYS64A, LYS64C, PHE67A, PHE67C, SER105C, SER62A, SER62C, THR61A, THR61C, THR71A, THR71C, VAL55A, VAL55C, VAL56A, VAL56C, VAL97A, VAL97C
• A-D: ALA93A, ALA93D, ARG75A, ARG75D, ASN98A, ASN98D, ASP84A, ASP84D, ASP87A, ASP87D, ASP91A, ASP91D, CYS95A, CYS95D, GLN52A, GLN52D, GLY258A, GLY258D, GLY51A, GLY51D, GLY89A, GLY89D, GLY92A, GLY92D, GLY96A, GLY96D, HIS54A, HIS54D, ILE99A, ILE99D, LEU253A, LEU253D, LEU47A, LEU47D, LYS88A, LYS88D, MET257A, MET257D, PHE90A, PHE90D, PRO256A, PRO256D, SER85A, SER85D, SER86A, SER86D, THR49A, THR49D, THR50A, THR50D, THR71D, THR94A, THR94D, VAL53A, VAL53D, VAL97A, VAL97D
• B-C: ALA93B, ALA93C, ARG75B, ARG75C, ASN98B, ASN98C, ASP259B, ASP84B, ASP84C, ASP87B, ASP87C, ASP91B, ASP91C, CYS95B, CYS95C, GLN52B, GLN52C, GLY258B, GLY258C, GLY51B, GLY51C, GLY89B, GLY89C, GLY92B, GLY92C, GLY96B, GLY96C, HIS54B, HIS54C, ILE99B, ILE99C, LEU253B, LEU253C, LEU47B, LEU47C, LYS88B, LYS88C, MET257B, MET257C, PHE90B, PHE90C, PRO256B, PRO256C, SER85B, SER85C, SER86B, SER86C, THR49B, THR49C, THR50B, THR50C, THR94B, THR94C, VAL53B, VAL53C, VAL97B, VAL97C
• B-D: ALA103B, ALA103D, ALA63B, ALA63D, ALA66B, ALA66D, ALA68B, ALA68D, ARG75B, ARG75D, ASN72B, ASN72D, ASN98B, ASN98D, ASP69B, ASP69D, GLN104B, GLN104D, GLU58B, GLU58D, GLU65B, GLU65D, GLY100B, GLY100D, GLY102B, GLY102D, GLY96B, GLY96D, HIS54B, HIS54D, ILE101B, ILE101D, ILE70B, ILE70D, ILE99B, ILE99D, LEU33B, LEU33D, LYS64B, LYS64D, PHE67B, PHE67D, SER105D, SER62B, SER62D, THR61B, THR61D, THR71B, THR71D, VAL55B, VAL55D, VAL56B, VAL56D, VAL59B, VAL97B, VAL97D
• C-D: ALA132C, ALA187C, ALA187D, ALA260C, ALA260D, ALA276C, ALA276D, ALA282C, ALA282D, ALA320C, ALA320D, ALA322C, ALA322D, ALA43C, ALA43D, ARG242C, ARG242D, ARG265C, ARG265D, ARG277C, ARG277D, ARG314C, ARG314D, ARG6C, ARG6D, ASN246C, ASN246D, ASN98C, ASN98D, ASP134C, ASP134D, ASP197C, ASP197D, ASP19C, ASP19D, ASP23C, ASP23D, ASP259C, ASP259D, ASP292C, ASP292D, CYS22C, CYS22D, GLN104C, GLN104D, GLN135C, GLN135D, GLN183C, GLN183D, GLN318C, GLN318D, GLN52C, GLN52D, GLU11C, GLU11D, GLU316C, GLU316D, GLU334C, GLU334D, GLU347C, GLU347D, GLU45C, GLU45D, GLU58C, GLU58D, GLY100C, GLY100D, GLY102C, GLY102D, GLY133C, GLY133D, GLY136C, GLY136D, GLY258C, GLY258D, GLY261C, GLY261D, GLY264C, GLY264D, GLY273C, GLY273D, GLY274C, GLY274D, GLY279C, GLY279D, GLY280C, GLY280D, GLY281C, GLY281D, GLY285C, GLY285D, GLY324C, GLY324D, GLY330C, GLY330D, GLY57C, GLY57D, GLY5C, GLY5D, HIS278C, HIS278D, HIS54C, HIS54D, ILE101C, ILE101D, ILE186C, ILE186D, ILE201C, ILE201D, ILE267C, ILE267D, ILE268C, ILE268D, ILE323C, ILE323D, ILE99C, ILE99D, LEU137C, LEU137D, LEU244C, LEU244D, LEU262C, LEU262D, LEU331C, LEU331D, LEU47C, LEU47D, LEU7C, LEU7D, LYS181C, LYS181D, LYS266C, LYS266D, LYS286C, LYS286D, LYS290C, LYS290D, LYS325C, LYS325D, MET138C, MET138D, MET257C, MET257D, PHE139C, PHE139D, PHE283C, PHE283D, PHE332C, PHE332D, PHE336C, PHE336D, PHE8C, PHE8D, PRO151C, PRO151D, PRO153C, PRO153D, PRO18C, PRO18D, PRO247C, PRO247D, PRO256C, PRO256D, PRO328C, PRO328D, PRO343C, PRO343D, SER10C, SER10D, SER202C, SER202D, SER26C, SER26D, SER284C, SER284D, THR182C, THR185C, THR185D, THR198C, THR198D, THR248C, THR248D, THR263C, THR263D, THR335C, THR335D, THR46C, THR46D, THR49C, THR49D, THR50C, THR50D, THR9C, THR9D, TRP275C, TRP275D, TYR141C, TYR141D, TYR188C, TYR188D, TYR272C, TYR272D, TYR321C, TYR321D, VAL184C, VAL184D, VAL199C, VAL199D, VAL200C, VAL200D, VAL269C, VAL269D, VAL317D, VAL319C, VAL319D, VAL329C, VAL329D, VAL333C, VAL333D, VAL344C, VAL344D, VAL44C, VAL44D, VAL48C, VAL48D, VAL53C, VAL53D, VAL55C, VAL55D, VAL56C, VAL56D