3NFL

crystal structure of the ptpn4 pdz domain complexed with the c- terminus of the glun2a nmda receptor subunit

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 42
  • Norm. En. per Res.: -5.4114
• 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-D	-26.5304	-19.8713	575.706	529.3043	50	11	3	4141	1	19	25
A-E	-68.4068	-26.1351	-120.366	-214.9079	43	12	5	4141	0	9	8
A-H	0.0	0.0	-0.0942	-0.0942	6	0	0	27	0	1	1
B-C	-12.1158	0.0	641.173	629.0572	41	7	4	3464	0	9	13
B-F	-74.289	-24.5075	-128.484	-227.2805	42	12	5	4232	0	10	8
B-G	0.0	0.0	-0.1097	-0.1097	2	0	0	25	0	0	0
C-G	-65.7989	-30.2335	-133.478	-229.5104	44	9	5	4266	1	9	8
D-H	-82.1252	-25.2792	-121.605	-229.0094	45	11	5	4329	0	10	8

Interface residues

• A-D: ALA588A, ALA588D, ARG527D, ARG572A, ARG572D, ARG592A, ASN525A, ASN525D, ASN570A, ASP523A, ASP523D, ASP580A, ASP580D, CYS590A, CYS590D, GLN581A, GLN581D, GLU524A, GLU524D, GLU591A, GLU591D, GLU596D, GLY526A, GLY526D, GLY595A, GLY595D, HIS577A, HIS577D, HIS593A, ILE586A, ILE586D, LEU584A, LEU584D, LEU597D, LYS587A, LYS587D, PHE528D, PHE585A, PHE585D, PRO522A, PRO522D, SER589A, SER589D, SER594A, THR578A, THR578D, VAL582A, VAL582D, VAL583A, VAL583D
• A-E: ALA548A, ALA553A, ARG527A, ARG546A, ARG592A, ASN531A, ASP15E, ASP523A, ASP537A, ASP580A, GLN538A, GLU13E, GLY526A, GLY529A, GLY534A, GLY535A, HIS579A, ILE12E, ILE543A, ILE569A, ILE586A, LEU560A, LEU584A, LEU597A, LEU599A, LYS533A, LYS587A, MET520A, MET540A, PHE528A, PHE530A, PHE585A, PRO522A, PRO552A, SER14E, SER545A, THR551A, VAL16E, VAL532A, VAL544A, VAL566A, VAL582A, VAL583A
• A-H: ARG572A, ASP15H, CYS590A, GLU591A, SER14H, VAL16H
• B-C: ALA588B, ALA588C, ARG527C, ARG572B, ARG572C, ASN525C, ASN570C, ASP580B, ASP580C, CYS590B, CYS590C, GLN581B, GLN581C, GLU524C, GLY526B, GLY526C, GLY595B, HIS577B, HIS577C, ILE586B, ILE586C, LEU584B, LEU584C, LEU597C, LYS521C, LYS587B, LYS587C, PHE528C, PHE585B, PHE585C, PRO522B, PRO522C, SER589B, SER589C, SER594B, THR578B, THR578C, VAL582B, VAL582C, VAL583B, VAL583C
• B-F: ALA548B, ALA553B, ARG527B, ARG546B, ASN531B, ASP15F, ASP523B, ASP537B, ASP580B, GLN538B, GLU13F, GLY526B, GLY529B, GLY534B, GLY535B, HIS579B, ILE12F, ILE543B, ILE569B, ILE586B, LEU560B, LEU584B, LEU597B, LEU599B, LYS533B, LYS587B, MET520B, MET540B, PHE528B, PHE530B, PHE585B, PRO522B, PRO552B, SER14F, SER545B, THR551B, VAL16F, VAL532B, VAL544B, VAL566B, VAL582B, VAL583B
• B-G: CYS590B, VAL16G
• C-G: ALA548C, ALA553C, ALA588C, ARG527C, ARG546C, ASN525C, ASN531C, ASP15G, ASP523C, ASP537C, ASP580C, GLN538C, GLU13G, GLY526C, GLY529C, GLY534C, GLY535C, HIS579C, ILE12G, ILE543C, ILE569C, ILE586C, LEU560C, LEU584C, LEU597C, LEU599C, LYS533C, LYS587C, MET520C, PHE528C, PHE530C, PHE585C, PRO522C, PRO552C, SER14G, SER545C, SER589C, THR551C, VAL16G, VAL532C, VAL544C, VAL566C, VAL582C, VAL583C
• D-H: ALA548D, ALA553D, ALA588D, ARG527D, ARG546D, ASN531D, ASP15H, ASP523D, ASP537D, ASP580D, CYS590D, GLN538D, GLU13H, GLU562D, GLY526D, GLY529D, GLY534D, HIS579D, ILE12H, ILE543D, ILE569D, ILE586D, LEU560D, LEU584D, LEU597D, LEU599D, LYS533D, LYS587D, MET520D, MET540D, PHE528D, PHE530D, PHE585D, PRO522D, PRO552D, SER14H, SER545D, SER589D, THR551D, VAL16H, VAL532D, VAL544D, VAL566D, VAL582D, VAL583D