3IML

crystal structure of s-adenosylmethionine synthetase from burkholderia pseudomallei

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 47
  • Norm. En. per Res.: -2.7434
• 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	-82.3825	-55.0797	-524.176	-661.6382	253	16	13	23785	12	58	51
A-C	-54.0654	31.4006	-106.275	-128.9398	47	5	13	4917	0	8	7
A-D	0.0	0.0	-4.8622	-4.8622	19	0	2	628	0	0	0
B-C	0.0	0.0	-1.5212	-1.5212	15	0	2	355	0	0	0
B-D	-52.3044	23.4747	-90.3299	-119.1596	44	6	12	4139	0	7	6
C-D	-69.0457	-23.833	-485.883	-578.7617	219	29	13	21586	10	48	44

Interface residues

• A-B: ALA120A, ALA120B, ALA168A, ALA168B, ALA21A, ALA21B, ALA258A, ALA258B, ALA259A, ALA259B, ALA265A, ALA265B, ALA2A, ALA305A, ALA305B, ALA42A, ALA42B, ALA43A, ALA43B, ALA55A, ALA55B, ALA92A, ALA92B, ALA96A, ALA96B, ARG175A, ARG248A, ARG248B, ARG297A, ARG297B, ARG334B, ASN229A, ASN229B, ASN317A, ASN317B, ASN3A, ASN48A, ASN48B, ASP122A, ASP122B, ASP178A, ASP185A, ASP185B, ASP18A, ASP18B, ASP22A, ASP22B, ASP242A, ASP242B, ASP253A, ASP253B, ASP275A, ASP275B, ASP326B, ASP4A, ASP98A, ASP98B, CYS243A, CYS243B, CYS47A, CYS47B, GLN123A, GLN123B, GLN171A, GLN171B, GLN240A, GLN240B, GLN301A, GLN301B, GLU10A, GLU10B, GLU310B, GLU327B, GLU44A, GLU44B, GLU57A, GLU57B, GLY119A, GLY119B, GLY121A, GLY121B, GLY124A, GLY124B, GLY232A, GLY232B, GLY241A, GLY241B, GLY244A, GLY244B, GLY247A, GLY247B, GLY256A, GLY256B, GLY257A, GLY257B, GLY262A, GLY262B, GLY263A, GLY263B, GLY264A, GLY264B, GLY268A, GLY268B, GLY307A, GLY307B, GLY320B, GLY50A, GLY50B, GLY56A, GLY56B, HIS16A, HIS16B, HIS261A, HIS261B, ILE142A, ILE236A, ILE250A, ILE250B, ILE251A, ILE251B, ILE306A, ILE306B, LEU125A, LEU125B, LEU189A, LEU189B, LEU227A, LEU227B, LEU245A, LEU245B, LEU299A, LEU299B, LEU46A, LEU46B, LEU51A, LEU51B, LEU54A, LEU54B, LEU6A, LEU6B, LEU94A, LEU94B, LYS169A, LYS169B, LYS225A, LYS225B, LYS249A, LYS249B, LYS269A, LYS269B, MET126A, MET126B, MET1A, MET315A, MET315B, PHE127A, PHE127B, PHE234A, PHE234B, PHE266A, PHE266B, PHE319A, PHE319B, PHE7A, PHE7B, PRO141A, PRO141B, PRO17A, PRO230A, PRO230B, PRO239A, PRO239B, PRO260A, PRO260B, PRO311A, PRO311B, SER11A, SER11B, SER145A, SER145B, SER170A, SER170B, SER190A, SER190B, SER25A, SER25B, SER267A, SER267B, SER303A, SER303B, SER313A, SER313B, SER325B, SER9A, SER9B, THR173A, THR173B, THR186A, THR186B, THR231A, THR231B, THR246A, THR246B, THR254A, THR254B, THR312A, THR312B, THR330B, THR45A, THR45B, THR49A, THR49B, THR8A, THR8B, TYR176A, TYR255A, TYR255B, TYR304A, TYR304B, TYR5A, TYR5B, TYR97A, TYR97B, VAL12A, VAL12B, VAL149A, VAL149B, VAL172A, VAL172B, VAL174A, VAL174B, VAL177A, VAL187A, VAL188A, VAL188B, VAL228A, VAL252A, VAL252B, VAL274A, VAL302A, VAL302B, VAL308A, VAL308B, VAL314A, VAL314B, VAL316A, VAL316B, VAL52A, VAL52B, VAL53A, VAL53B, VAL95A, VAL95B
• A-C: ALA55C, ALA62A, ALA92A, ALA92C, ALA96A, ALA96C, ARG71A, ARG71C, ASN63A, ASN63C, ASP65A, ASP65C, ASP98A, ASP98C, CYS91A, CYS91C, GLN100A, GLN68A, GLN68C, GLY50A, GLY50C, GLY90A, GLY90C, ILE64A, ILE64C, ILE67A, ILE67C, LEU51A, LEU51C, LEU54A, LEU54C, LEU94A, LEU94C, LYS99A, LYS99C, TYR66A, TYR66C, TYR97A, TYR97C, VAL52A, VAL52C, VAL53A, VAL53C, VAL93A, VAL93C, VAL95A, VAL95C
• A-D: ALA92A, ALA92D, ASN48A, ASN48D, CYS91A, GLN240D, GLY50A, GLY50D, GLY90A, GLY90D, LEU51A, LEU51D, LEU94A, LEU94D, THR49A, THR49D, VAL53D, VAL93A, VAL93D
• B-C: ALA92B, ALA92C, ASN48B, ASN48C, GLY50B, GLY50C, GLY90C, LEU51B, LEU51C, LEU94B, LEU94C, THR49B, THR49C, VAL93B, VAL93C
• B-D: ALA55D, ALA92B, ALA92D, ALA96B, ALA96D, ARG71B, ARG71D, ASN63B, ASN63D, ASP65B, ASP65D, ASP98B, ASP98D, CYS91B, CYS91D, GLN68B, GLN68D, GLY50B, GLY50D, GLY90D, ILE64B, ILE64D, ILE67B, ILE67D, LEU51B, LEU51D, LEU54B, LEU54D, LEU94B, LEU94D, LYS99B, LYS99D, TYR66B, TYR66D, TYR97B, TYR97D, VAL52B, VAL52D, VAL53B, VAL53D, VAL93B, VAL93D, VAL95B, VAL95D
• C-D: ALA120C, ALA168D, ALA21C, ALA21D, ALA258C, ALA258D, ALA259C, ALA259D, ALA265C, ALA265D, ALA305C, ALA305D, ALA42C, ALA42D, ALA43C, ALA43D, ALA55C, ALA55D, ALA92C, ALA92D, ALA96C, ALA96D, ARG175D, ARG248C, ARG248D, ARG297D, ARG334C, ASN229D, ASN317C, ASN48C, ASN48D, ASP122C, ASP185D, ASP18C, ASP18D, ASP22C, ASP22D, ASP242C, ASP242D, ASP253C, ASP253D, ASP275C, ASP275D, ASP98C, ASP98D, CYS243C, CYS243D, CYS47C, CYS47D, GLN123C, GLN123D, GLN171C, GLN171D, GLN240C, GLN240D, GLN301C, GLN301D, GLU10C, GLU10D, GLU44C, GLU44D, GLU57C, GLU57D, GLY119C, GLY121C, GLY124C, GLY124D, GLY232D, GLY241C, GLY241D, GLY244C, GLY244D, GLY247C, GLY247D, GLY256C, GLY256D, GLY257C, GLY257D, GLY262C, GLY262D, GLY263C, GLY263D, GLY264C, GLY264D, GLY268C, GLY268D, GLY307C, GLY50C, GLY50D, GLY56C, GLY56D, HIS16C, HIS16D, HIS261C, HIS261D, ILE142C, ILE142D, ILE250C, ILE250D, ILE251C, ILE251D, ILE306C, LEU125C, LEU125D, LEU189D, LEU227C, LEU227D, LEU245C, LEU245D, LEU299C, LEU299D, LEU46C, LEU46D, LEU51C, LEU51D, LEU54C, LEU54D, LEU6C, LEU6D, LEU94C, LEU94D, LYS169C, LYS169D, LYS225D, LYS249C, LYS249D, LYS269C, LYS269D, LYS273C, LYS273D, MET126C, MET126D, MET315C, PHE127C, PHE127D, PHE234D, PHE266C, PHE266D, PHE7C, PHE7D, PRO141C, PRO141D, PRO17C, PRO230C, PRO230D, PRO239C, PRO239D, PRO260C, PRO260D, PRO311C, SER11C, SER11D, SER13D, SER145C, SER145D, SER170C, SER170D, SER190C, SER190D, SER25C, SER25D, SER267C, SER267D, SER303C, SER303D, SER313C, SER9C, SER9D, THR173C, THR173D, THR186C, THR186D, THR231C, THR231D, THR246C, THR246D, THR254D, THR312C, THR330C, THR45C, THR45D, THR49C, THR49D, THR8C, THR8D, TYR176C, TYR176D, TYR255C, TYR255D, TYR304C, TYR304D, TYR5C, TYR5D, TYR97C, TYR97D, VAL12C, VAL12D, VAL149D, VAL172C, VAL172D, VAL174D, VAL187D, VAL188C, VAL188D, VAL228D, VAL252C, VAL252D, VAL274D, VAL302C, VAL302D, VAL308C, VAL314C, VAL316C, VAL52C, VAL52D, VAL53C, VAL53D, VAL95C, VAL95D