3TBE

the crystal structure of the complex of streptococcus agalactiae sortase c1 and mtset

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 63
  • Norm. En. per Res.: -2.5565
• Hub Node: A(1)

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	-44.2139	6.4443	-98.2757	-136.0454	63	6	5	4892	0	28	32
B-D	-4.4411	0.0	-83.0856	-87.5267	47	11	0	4189	0	10	9
C-D	-47.2652	7.3794	-98.5133	-138.3991	62	5	5	4787	0	28	32
D-F	0.0	0.0	-0.0013	-0.0013	4	0	0	4	0	1	2
E-F	-64.8579	8.1692	-104.37	-161.0587	63	6	5	4783	0	28	36

Interface residues

• A-B: ALA163A, ALA163B, ARG123A, ARG193A, ARG193B, ARG197A, ARG197B, ARG80A, ARG80B, ASP135A, ASP135B, ASP141A, ASP141B, ASP157A, ASP157B, ASP169A, ASP169B, GLN155A, GLN155B, GLN158A, GLN158B, GLU168A, GLU168B, GLU176A, GLU176B, GLY140A, GLY140B, HIS178A, HIS178B, HIS192A, HIS192B, ILE159A, ILE159B, ILE162A, ILE162B, ILE173A, ILE173B, LEU194A, LEU194B, LEU195A, LEU195B, LYS136A, LYS136B, LYS160A, LYS160B, LYS199A, LYS199B, PRO186A, PRO186B, THR138A, THR138B, THR185A, THR185B, VAL137A, VAL137B, VAL139A, VAL139B, VAL156A, VAL156B, VAL161A, VAL161B, VAL196A, VAL196B
• B-D: ALA128B, ALA28D, ALA30D, ALA33D, ALA36D, ALA38D, ALA64D, ARG123B, ARG23D, ARG24D, ARG65D, ASN133B, ASN190B, ASN32D, CYS184B, GLN97B, GLU104D, GLU20D, GLU62D, GLU68D, GLU93B, GLY105D, GLY124B, GLY37D, HIS122B, ILE189B, ILE35D, LEU108D, LEU125B, LEU27D, LEU67D, LYS136B, MET188B, MET66D, PRO126B, PRO186B, PRO45D, SER107D, SER191B, SER34D, THR106D, THR127B, TYR187B, TYR31D, TYR63D, VAL60D, VAL61D
• C-D: ALA163D, ARG123C, ARG193C, ARG193D, ARG197C, ARG197D, ARG80C, ARG80D, ASP135C, ASP135D, ASP141C, ASP141D, ASP157C, ASP157D, ASP169C, ASP169D, GLN155C, GLN155D, GLN158C, GLN158D, GLU168C, GLU168D, GLU176C, GLU176D, GLY140C, GLY140D, HIS178C, HIS178D, HIS192C, HIS192D, ILE159C, ILE159D, ILE162C, ILE162D, ILE173C, ILE173D, LEU194C, LEU194D, LEU195C, LEU195D, LYS136C, LYS136D, LYS160C, LYS160D, LYS199C, LYS199D, PRO186C, PRO186D, THR138C, THR138D, THR185C, THR185D, VAL137C, VAL137D, VAL139C, VAL139D, VAL156C, VAL156D, VAL161C, VAL161D, VAL196C, VAL196D
• D-F: LYS206F, THR207D, VAL204D, VAL204F
• E-F: ALA163F, ARG123E, ARG193E, ARG193F, ARG197E, ARG197F, ARG80F, ASP135E, ASP135F, ASP141E, ASP141F, ASP157E, ASP157F, ASP169E, ASP169F, GLN155E, GLN155F, GLN158E, GLN158F, GLN166E, GLN166F, GLU168E, GLU168F, GLU176E, GLU176F, GLY140E, GLY140F, HIS178E, HIS178F, HIS192E, HIS192F, ILE159E, ILE159F, ILE162E, ILE162F, ILE173E, ILE173F, LEU194E, LEU194F, LEU195E, LEU195F, LYS136E, LYS136F, LYS160E, LYS160F, LYS199E, LYS199F, PRO186E, PRO186F, THR138E, THR138F, THR185E, THR185F, VAL137E, VAL137F, VAL139E, VAL139F, VAL156E, VAL156F, VAL161E, VAL161F, VAL196E, VAL196F