3PGY

serine hydroxymethyltransferase from staphylococcus aureus, s95p mutant.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 288
  • Norm. En. per Res.: -3.4845
• 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	-126.3572	1.5762	-878.751	-1003.532	288	35	37	37608	10	94	104
A-C	0.0	0.0	-0.5446	-0.5446	3	0	0	76	0	1	1
B-C	-16.7455	-11.965	-55.9636	-84.6741	28	3	0	2421	4	48	47
B-D	0.0	0.0	-1.345	-1.345	5	0	0	201	0	2	3
C-D	-103.4386	21.2533	-897.237	-979.4223	287	23	38	37924	8	90	105

Interface residues

• A-B: ALA127B, ALA12A, ALA12B, ALA14A, ALA14B, ALA173A, ALA264A, ALA264B, ALA265A, ALA265B, ALA267A, ALA267B, ALA269A, ALA269B, ALA273B, ALA30A, ALA30B, ALA363A, ALA363B, ALA38A, ALA38B, ALA42A, ALA42B, ALA52A, ALA52B, ALA74A, ALA74B, ARG17A, ARG17B, ARG21A, ARG21B, ARG229A, ARG229B, ARG232A, ARG232B, ARG358A, ARG59A, ARG59B, ARG77A, ARG77B, ASN130A, ASN130B, ASN23A, ASN23B, ASN25A, ASN25B, ASN277B, ASN33A, ASN33B, ASN340A, ASN340B, ASN342A, ASN49A, ASN49B, ASN98A, ASP245A, ASP245B, ASP247A, ASP247B, ASP333A, ASP333B, ASP68A, ASP68B, ASP8A, ASP8B, CYS339A, CYS339B, CYS64A, CYS64B, GLN20A, GLN20B, GLN22A, GLN22B, GLN255A, GLN255B, GLN412A, GLN43A, GLN43B, GLN7A, GLN7B, GLN96A, GLN96B, GLU107A, GLU107B, GLU13A, GLU13B, GLU16A, GLU16B, GLU18A, GLU18B, GLU260A, GLU260B, GLU272A, GLU272B, GLU275A, GLU275B, GLU27A, GLU27B, GLU329A, GLU329B, GLU32A, GLU32B, GLU330B, GLU37A, GLU37B, GLU41A, GLU41B, GLU53A, GLU53B, GLU65A, GLU65B, GLU71A, GLU71B, GLY109A, GLY133A, GLY133B, GLY230A, GLY230B, GLY233A, GLY233B, GLY234A, GLY234B, GLY253A, GLY253B, GLY256A, GLY256B, GLY257A, GLY257B, GLY271A, GLY271B, GLY44A, GLY44B, GLY54B, GLY62A, GLY62B, GLY63A, GLY63B, GLY94A, GLY94B, HIS119A, HIS200A, HIS200B, HIS225A, HIS225B, HIS261A, HIS261B, HIS92A, HIS92B, ILE11A, ILE11B, ILE15A, ILE15B, ILE250A, ILE250B, ILE254A, ILE254B, ILE263A, ILE263B, ILE29A, ILE29B, ILE4A, ILE4B, ILE73A, ILE73B, LEU103A, LEU103B, LEU106A, LEU106B, LEU259A, LEU259B, LEU274B, LEU410A, LEU410B, LEU47A, LEU47B, LYS134A, LYS134B, LYS226A, LYS226B, LYS244A, LYS244B, LYS248A, LYS248B, LYS266A, LYS266B, LYS341A, LYS341B, LYS50A, LYS50B, LYS6A, LYS6B, LYS9A, LYS9B, MET108A, MET108B, MET1A, MET1B, MET40A, MET40B, MET99A, MET99B, PHE131A, PHE131B, PHE135A, PHE135B, PHE19A, PHE19B, PHE251A, PHE251B, PHE270A, PHE270B, PHE34A, PHE34B, PHE352B, PHE66A, PHE66B, PRO128A, PRO128B, PRO231A, PRO231B, PRO252A, PRO252B, PRO258A, PRO258B, PRO91A, PRO91B, PRO95A, PRO95B, SER118A, SER132A, SER132B, SER24A, SER24B, SER2A, SER2B, SER31A, SER31B, SER36A, SER36B, SER45A, SER45B, SER72A, SER72B, SER93A, SER93B, THR223A, THR223B, THR249A, THR249B, THR338A, THR338B, THR366A, THR366B, THR48A, THR48B, THR5A, THR5B, THR70A, THR70B, TYR136A, TYR136B, TYR3A, TYR3B, TYR411A, TYR411B, TYR51A, TYR51B, TYR60B, TYR61B, VAL104A, VAL10A, VAL10B, VAL129A, VAL129B, VAL262A, VAL262B, VAL268A, VAL268B, VAL35A, VAL35B, VAL39A, VAL39B, VAL46A, VAL46B, VAL67A, VAL67B, VAL69A, VAL69B
• A-C: LYS181C, LYS350A, TYR216C
• B-C: ALA217B, ARG58B, ARG58C, ASP218B, ASP218C, ASP245B, ASP245C, CYS238C, GLU215B, GLU240B, GLU240C, GLU241B, GLU241C, GLU85B, GLU85C, HIS86B, HIS86C, LYS184B, LYS239B, LYS239C, LYS243B, LYS243C, LYS244B, LYS244C, LYS248B, LYS79C, TYR242B, TYR242C
• B-D: LYS181B, LYS350D, PHE352D, PRO351D, TYR216B
• C-D: ALA0C, ALA0D, ALA12C, ALA12D, ALA14C, ALA14D, ALA173C, ALA264C, ALA264D, ALA265C, ALA265D, ALA267C, ALA267D, ALA269C, ALA269D, ALA30C, ALA30D, ALA363C, ALA363D, ALA38C, ALA38D, ALA42C, ALA42D, ALA52C, ALA52D, ALA74C, ALA74D, ARG17C, ARG17D, ARG21C, ARG21D, ARG229C, ARG229D, ARG232C, ARG232D, ARG358C, ARG59C, ARG59D, ARG77C, ARG77D, ASN-1D, ASN130C, ASN130D, ASN23C, ASN23D, ASN25C, ASN25D, ASN277C, ASN277D, ASN33C, ASN33D, ASN340C, ASN340D, ASN342C, ASN49C, ASN49D, ASP245C, ASP245D, ASP247C, ASP247D, ASP333C, ASP333D, ASP68C, ASP68D, ASP8C, ASP8D, CYS339C, CYS339D, CYS64C, CYS64D, GLN20C, GLN20D, GLN22C, GLN22D, GLN255C, GLN255D, GLN43C, GLN43D, GLN7C, GLN7D, GLN96C, GLN96D, GLU107C, GLU107D, GLU13C, GLU13D, GLU16C, GLU16D, GLU18C, GLU18D, GLU260C, GLU260D, GLU272C, GLU272D, GLU275C, GLU275D, GLU27C, GLU27D, GLU329C, GLU329D, GLU32C, GLU32D, GLU330C, GLU330D, GLU37C, GLU37D, GLU41C, GLU41D, GLU53C, GLU53D, GLU65C, GLU65D, GLU71C, GLU71D, GLY109C, GLY133C, GLY133D, GLY230C, GLY230D, GLY233C, GLY233D, GLY234C, GLY234D, GLY253C, GLY253D, GLY256C, GLY256D, GLY257C, GLY257D, GLY271C, GLY271D, GLY44C, GLY44D, GLY62C, GLY62D, GLY63C, GLY63D, GLY94C, GLY94D, HIS200C, HIS200D, HIS225C, HIS225D, HIS261C, HIS261D, HIS92C, HIS92D, ILE11C, ILE11D, ILE15C, ILE15D, ILE250C, ILE250D, ILE254C, ILE254D, ILE263C, ILE263D, ILE29C, ILE29D, ILE337D, ILE4C, ILE4D, ILE73C, ILE73D, LEU103C, LEU103D, LEU106C, LEU106D, LEU259C, LEU259D, LEU28C, LEU410C, LEU410D, LEU47C, LEU47D, LYS134C, LYS134D, LYS226C, LYS226D, LYS244C, LYS244D, LYS248C, LYS248D, LYS266C, LYS266D, LYS341C, LYS341D, LYS50C, LYS50D, LYS6C, LYS6D, LYS9C, LYS9D, MET108C, MET108D, MET1C, MET1D, MET40C, MET40D, MET99C, MET99D, PHE131C, PHE131D, PHE135C, PHE135D, PHE19C, PHE19D, PHE251C, PHE251D, PHE270C, PHE270D, PHE34C, PHE34D, PHE352C, PHE66C, PHE66D, PRO128D, PRO231C, PRO231D, PRO252C, PRO252D, PRO258C, PRO258D, PRO91C, PRO91D, PRO95C, PRO95D, SER132C, SER132D, SER24C, SER24D, SER2C, SER2D, SER31C, SER31D, SER36C, SER36D, SER45C, SER45D, SER72C, SER72D, SER93C, SER93D, THR223C, THR223D, THR249C, THR249D, THR338C, THR338D, THR366C, THR366D, THR48C, THR48D, THR5C, THR5D, THR70C, THR70D, TYR136C, TYR136D, TYR3C, TYR3D, TYR411C, TYR411D, TYR51C, TYR51D, TYR60D, TYR61D, VAL104C, VAL104D, VAL10C, VAL10D, VAL129C, VAL129D, VAL262C, VAL262D, VAL268C, VAL268D, VAL35C, VAL35D, VAL39C, VAL39D, VAL46C, VAL46D, VAL67C, VAL67D, VAL69C, VAL69D