4PRG

0072 partial agonist ppar gamma cocrystal

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 96
  • Norm. En. per Res.: -2.1732
• 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	0.0	-29.976	-134.752	-164.728	95	14	6	7272	2	40	23
A-C	-4.3451	-18.2303	-23.7719	-46.3474	22	3	1	1193	1	10	15
B-D	0.0	-10.5409	-47.6971	-58.238	29	18	0	2396	0	15	15
C-D	-6.6069	-36.1133	-165.91	-208.6302	96	18	5	8096	5	41	30

Interface residues

• A-B: ALA416A, ALA416B, ALA433A, ALA433B, ARG397A, ARG397B, ARG443A, ARG443B, ASN412A, ASN412B, ASP396A, ASP396B, ASP408A, ASP408B, ASP411A, ASP411B, ASP441A, ASP441B, GLN410A, GLN410B, GLN415A, GLN415B, GLN430A, GLN430B, GLN437A, GLN437B, GLN444A, GLN444B, GLN451A, GLN451B, GLU324A, GLU324B, GLU369B, GLU407A, GLU407B, GLU418A, GLU418B, GLU448A, GLU448B, GLY395A, GLY395B, ILE391A, ILE391B, ILE406B, ILE445B, LEU393A, LEU393B, LEU400A, LEU413A, LEU413B, LEU414A, LEU414B, LEU417A, LEU417B, LEU419A, LEU419B, LEU431A, LEU431B, LEU435A, LEU435B, LEU436A, LEU436B, LEU442A, LEU442B, LEU476A, LYS373A, LYS373B, LYS422B, LYS434A, LYS434B, LYS438A, LYS438B, MET439A, MET439B, PHE370B, PHE387A, PHE387B, PHE432A, PHE432B, PRO366B, PRO398A, SER394A, SER394B, SER429A, SER429B, THR440A, THR440B, THR447A, THR447B, VAL390A, VAL390B, VAL403A, VAL403B, VAL446A, VAL446B
• A-C: ALA209C, ALA213C, ARG212C, ARG357A, ASP210C, GLN451A, GLN454A, GLU207C, GLU460A, ILE456A, LEU211C, LEU214C, LEU423C, LYS216C, LYS358A, LYS457A, LYS458A, PRO359A, SER208C, THR459A, THR461A, VAL455A
• B-D: ALA209D, ALA213D, ALA215D, ARG212D, ARG357B, ASN424D, ASP462B, GLN420D, GLN470B, GLU427D, GLU460B, HIS425D, ILE456B, LEU211D, LEU419D, LEU421D, LEU423D, LEU465B, LYS216D, LYS422D, LYS457B, LYS458B, MET463B, PRO426D, PRO467B, SER208D, SER464B, THR459B, THR461B
• C-D: ALA376D, ALA416C, ALA416D, ALA433C, ALA433D, ARG397C, ARG397D, ARG443C, ARG443D, ASN412C, ASN412D, ASP396C, ASP396D, ASP408C, ASP408D, ASP411C, ASP411D, ASP441C, ASP441D, GLN410C, GLN410D, GLN415C, GLN415D, GLN430C, GLN430D, GLN437C, GLN437D, GLN444C, GLN444D, GLN451C, GLU324D, GLU369D, GLU407C, GLU407D, GLU418C, GLU418D, GLU448D, GLY395C, GLY395D, ILE391C, ILE391D, ILE406C, ILE406D, ILE409C, ILE409D, LEU211C, LEU377D, LEU393C, LEU393D, LEU400C, LEU413C, LEU413D, LEU414C, LEU414D, LEU417C, LEU417D, LEU419C, LEU419D, LEU431C, LEU431D, LEU435C, LEU435D, LEU436C, LEU436D, LEU442C, LEU476C, LYS373C, LYS373D, LYS404C, LYS422D, LYS434C, LYS434D, LYS438C, LYS438D, MET439C, MET439D, PHE370D, PHE374D, PHE387C, PHE387D, PHE432C, PHE432D, PRO366D, PRO398C, SER394C, SER394D, SER428D, SER429C, SER429D, THR440C, THR440D, THR447C, THR447D, VAL390C, VAL390D, VAL403C