2IXP

crystal structure of the pp2a phosphatase activator ypa1 ptpa1 in complex with model substrate

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 110
  • Norm. En. per Res.: -3.5369
• Hub Node: A(5)

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	0.0	-7.5024	-86.1882	-93.6906	50	5	2	4045	0	7	5
A-C	-32.0304	-64.1125	-271.802	-367.9449	114	24	1	11518	2	44	42
A-D	-2.5739	20.1637	-38.9367	-21.347	37	4	0	2034	0	16	15
A-F	-13.1707	0.0	-36.8038	-49.9745	23	2	3	1614	0	1	2
A-G	0.0	-7.0751	-55.9581	-63.0332	23	1	0	1618	0	4	3
B-D	-23.8933	-94.9631	-270.206	-389.0624	110	10	1	11177	5	44	45
B-H	-9.4772	0.0	-38.7037	-48.1809	24	1	3	1587	0	1	2
B-I	0.0	-5.1156	-49.3646	-54.4802	23	4	0	1617	0	4	2
C-F	-3.8581	-13.3239	-54.2223	-71.4043	23	0	0	1620	1	4	3
C-G	-11.7387	0.0	-35.2855	-47.0242	24	2	3	1661	0	1	2
D-H	0.0	-9.0574	-54.2837	-63.3411	22	2	0	1656	0	5	5
D-I	-8.8033	0.0	-34.0468	-42.8501	24	2	2	1738	0	1	3

Interface residues

• A-B: ALA61A, ALA65A, ALA97B, ARG91B, ARG92B, ARG99B, ASN68A, ASN95B, ASP82B, GLN114A, GLU100B, GLU115A, GLU120A, GLU194B, GLU83B, GLY163A, GLY69A, GLY89B, GLY94B, HIS122A, ILE64A, LEU113A, LEU117A, LEU142B, LEU159A, LEU162A, LEU70A, LEU87B, LEU96B, LYS104B, MET116A, MET164A, MET66A, PHE165A, PRO118A, PRO166A, PRO85B, PRO86B, PRO88B, PRO90B, PRO9A, SER119A, SER62A, SER63A, THR84B, TRP8A, TYR121A, TYR191B, TYR93B, VAL67A
• A-C: ALA196A, ALA196C, ALA97A, ALA97C, ARG141A, ARG141C, ARG91C, ARG92C, ARG99A, ARG99C, ASN95A, ASN95C, ASP143A, ASP143C, ASP206A, ASP206C, CYS98A, CYS98C, GLN303A, GLN303C, GLU194A, GLU194C, GLU257A, GLU264A, GLU264C, GLU265A, GLU265C, GLU294A, GLU294C, GLY197A, GLY197C, GLY200A, GLY200C, GLY203A, GLY203C, GLY261A, GLY261C, GLY89C, GLY94A, GLY94C, HIS199A, HIS199C, HIS207A, HIS266A, HIS266C, HIS304A, HIS304C, ILE188A, ILE255A, LEU142A, LEU142C, LEU187A, LEU189A, LEU193A, LEU87A, LEU96A, LEU96C, LYS18A, LYS18C, LYS259A, LYS259C, LYS297A, LYS297C, LYS298A, LYS298C, MET260A, MET260C, PHE208A, PHE21A, PHE21C, PHE254A, PHE263A, PHE263C, PHE299A, PHE299C, PRO195A, PRO195C, PRO262A, PRO262C, PRO268A, PRO268C, PRO300A, PRO300C, PRO86A, PRO90C, SER138A, SER138C, SER139A, SER139C, SER198A, SER198C, SER267A, SER267C, THR140A, THR140C, THR190A, THR192A, THR192C, THR23A, THR23C, THR26A, THR26C, TRP202A, TRP202C, TYR144A, TYR191A, TYR93C, VAL201A, VAL201C, VAL258A, VAL258C, VAL295A, VAL301A, VAL301C
• A-D: ALA78D, ARG185D, ARG186D, ARG240D, ARG5A, ASN256D, ASP7A, ASP82D, GLN114A, GLU120A, GLU123A, GLU257D, HIS10A, HIS122A, HIS79D, ILE183D, ILE188D, ILE255D, ILE81D, LEU187D, LEU189D, LEU87D, LYS236D, LYS259D, MET260D, PHE254D, PRO118A, PRO85D, PRO86D, PRO9A, SER119A, THR182D, THR190D, THR192D, TRP8A, TYR121A, VAL258D
• A-F: ALA2F, ALA3F, ASP22A, GLN24A, GLN303A, GLN30A, GLY197A, HIS199A, ILE20A, LEU27A, LYS297A, LYS298A, LYS5F, PHE21A, PHE299A, PRO300A, PRO4F, SER198A, THR23A, THR26A, VAL293A, VAL301A, VAL302A
• A-G: ALA2G, ALA3G, ASP272A, GLU264A, GLU265A, GLU294A, GLY200A, GLY203A, HIS199A, ILE269A, ILE273A, LEU204A, LEU270A, LYS5G, MET290A, PRO268A, PRO4G, SER267A, THR276A, TRP202A, TYR271A, VAL201A, VAL275A
• B-D: ALA196B, ALA196D, ALA97D, ARG141B, ARG141D, ARG185D, ARG91B, ARG92B, ARG99B, ARG99D, ASN95B, ASN95D, ASP143B, ASP143D, ASP206B, ASP206D, GLN303B, GLN303D, GLU194B, GLU194D, GLU257B, GLU257D, GLU264B, GLU264D, GLU265B, GLU265D, GLU294B, GLU294D, GLY197B, GLY197D, GLY200B, GLY200D, GLY203B, GLY203D, GLY261B, GLY261D, GLY89B, GLY94B, GLY94D, HIS199B, HIS199D, HIS207D, HIS266B, HIS266D, HIS304B, HIS304D, ILE188D, ILE255D, LEU142B, LEU142D, LEU187D, LEU189D, LEU193D, LEU87D, LEU96B, LEU96D, LYS18B, LYS18D, LYS259B, LYS259D, LYS297B, LYS297D, LYS298B, LYS298D, MET260B, MET260D, PHE208D, PHE21B, PHE254D, PHE263B, PHE263D, PHE299B, PHE299D, PRO195B, PRO195D, PRO262B, PRO262D, PRO268B, PRO268D, PRO300B, PRO300D, PRO86D, PRO90B, SER138B, SER138D, SER139B, SER139D, SER198B, SER198D, SER267D, THR140B, THR140D, THR190D, THR192B, THR192D, THR23B, THR23D, THR26B, TRP202B, TRP202D, TRP306D, TYR144D, TYR191D, TYR93B, VAL201B, VAL201D, VAL258B, VAL258D, VAL301B, VAL301D
• B-H: ALA2H, ALA3H, ASP22B, GLN24B, GLN303B, GLN30B, GLU294B, GLY197B, HIS199B, ILE20B, LEU27B, LYS297B, LYS298B, LYS5H, PHE21B, PHE299B, PRO300B, PRO4H, SER198B, THR23B, THR26B, VAL293B, VAL301B, VAL302B
• B-I: ALA2I, ALA3I, ASP272B, GLU264B, GLU265B, GLU294B, GLY200B, GLY203B, HIS199B, ILE269B, ILE273B, LEU204B, LEU270B, LYS5I, MET290B, PRO268B, PRO4I, SER267B, THR276B, TRP202B, TYR271B, VAL201B, VAL275B
• C-F: ALA2F, ALA3F, ASP272C, GLU264C, GLU265C, GLY200C, GLY203C, HIS199C, HIS266C, ILE269C, ILE273C, LEU204C, LEU270C, LYS5F, MET290C, PRO268C, PRO4F, SER267C, THR276C, TRP202C, TYR271C, VAL201C, VAL275C
• C-G: ALA2G, ALA3G, ASP22C, GLN24C, GLN303C, GLN30C, GLY197C, HIS199C, ILE20C, LEU27C, LYS297C, LYS298C, LYS5G, PHE21C, PHE299C, PRO300C, PRO4G, SER198C, THR23C, THR25C, THR26C, VAL293C, VAL301C, VAL302C
• D-H: ALA2H, ALA3H, ASP272D, GLU264D, GLU265D, GLU294D, GLY200D, GLY203D, HIS199D, ILE269D, ILE273D, LEU204D, LEU270D, LYS5H, MET290D, PRO268D, PRO4H, SER267D, THR276D, TRP202D, TYR271D, VAL201D
• D-I: ALA2I, ALA3I, ASP22D, GLN24D, GLN303D, GLN30D, GLU294D, GLY197D, HIS199D, ILE20D, LEU27D, LYS297D, LYS298D, LYS5I, PHE21D, PHE299D, PRO300D, PRO4I, SER198D, THR23D, THR26D, VAL293D, VAL301D, VAL302D