2PK0

structure of the s. agalactiae serine/threonine phosphatase at 2.65 resolution

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 109
  • Norm. En. per Res.: -3.2932
• 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	-16.587	-18.0372	-19.6457	-54.2699	21	1	0	704	1	11	17
A-C	-49.5819	-76.1994	-233.179	-358.9602	109	8	0	9702	4	33	28
A-D	-7.3437	-17.0131	-47.9137	-72.2705	38	3	0	1993	0	18	6
C-D	-22.5165	0.0	-79.3483	-101.8648	51	2	4	2656	3	12	18

Interface residues

• A-B: ALA27A, ALA60A, ASN25A, ASP214B, ASP215B, ASP63A, GLU241B, GLU24A, GLU2B, GLU61A, GLY28A, LEU213B, LYS211B, LYS26A, MET1B, SER242B, SER57A, THR212B, THR62A, TYR0B, TYR239B
• A-C: ALA145A, ALA145C, ALA153A, ALA153C, ALA154A, ALA224A, ALA43C, ARG120A, ARG12A, ARG12C, ARG13C, ARG227A, ARG42C, ASN15C, ASN160A, ASN160C, ASN196A, ASN196C, ASN200A, ASN225A, ASN232C, ASP118C, ASP192A, ASP192C, ASP202A, ASP231A, ASP231C, ASP36C, ASP92C, ASP93C, GLN11A, GLN11C, GLN147A, GLN147C, GLN158A, GLN158C, GLN164C, GLN168C, GLN17C, GLN90C, GLU141A, GLU141C, GLU150A, GLU151A, GLU152A, GLU152C, GLY146A, GLY146C, GLY167C, GLY193A, GLY228A, GLY229A, GLY229C, GLY37C, GLY39C, GLY40C, GLY44C, GLY89C, GLY96C, GLY98C, HIS156A, HIS156C, HIS226A, HIS41C, ILE161A, ILE161C, ILE162C, ILE166C, ILE9C, LEU138A, LEU138C, LEU142A, LEU142C, LEU148A, LEU148C, LEU194A, LEU198A, LEU223A, LEU230A, LEU230C, LYS144C, LYS159A, LYS159C, LYS95C, MET197A, MET38C, MET97C, PRO157A, PRO157C, SER137A, SER137C, SER14C, SER155A, SER155C, SER165C, SER199A, THR100C, THR149A, THR149C, THR163A, THR163C, THR195A, THR222A, THR99C, TYR86C, TYR94C, VAL139A, VAL139C, VAL143A
• A-D: ALA27D, ARG12A, ARG13A, ARG71D, ASN110D, ASN15A, ASN16A, ASN225A, ASN232A, ASP109D, ASP63D, GLN11A, GLU182D, GLU66D, GLU69D, GLY108D, GLY10A, GLY177D, GLY228A, GLY229A, HIS179D, HIS226A, HIS41A, ILE111D, ILE112D, ILE70D, ILE9A, LEU180D, LEU181D, LEU230A, LEU67D, PHE64D, SER14A, SER65D, SER68D, VAL107D, VAL178D, VAL29D
• C-D: ALA145C, ALA145D, ARG125C, ARG125D, ARG71C, ARG71D, ASN110C, ASN110D, ASP109C, GLN147C, GLN147D, GLN164C, GLN164D, GLU141C, GLU141D, GLU173C, GLU173D, GLU182C, GLU182D, GLY146C, GLY146D, GLY177C, GLY177D, HIS179C, HIS179D, ILE111C, ILE111D, ILE123C, ILE123D, LEU132C, LEU132D, LEU142C, LEU142D, LEU148C, LEU148D, LEU176C, LEU176D, LEU180C, LEU180D, LEU181C, LEU181D, LEU75C, LEU75D, LYS144C, LYS144D, PHE113C, PHE113D, VAL143C, VAL143D, VAL178C, VAL178D