3KMG

the x-ray crystal structure of ppar-gamma in complex with an indole derivative modulator, gsk538, and an src-1 peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 49
  • Norm. En. per Res.: -3.6828
• 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	-28.4717	-5.6448	-146.339	-180.4555	49	15	5	6395	0	17	20
A-D	-17.4059	13.0546	-153.418	-157.7693	82	3	5	6967	4	34	23
D-E	-34.8744	-4.2066	-150.382	-189.4629	54	12	3	6997	0	19	19

Interface residues

• A-B: ALA292A, ALA300A, ARG686B, ARG692B, ASN312A, ASP310A, ASP313A, ASP475A, GLN294A, GLN314A, GLN470A, GLN695B, GLU291A, GLU295A, GLU298A, GLU471A, GLU685B, GLY321A, HIS466A, HIS687B, HIS691B, ILE296A, ILE392A, ILE472A, ILE689B, LEU311A, LEU317A, LEU318A, LEU468A, LEU469A, LEU476A, LEU690B, LEU693B, LEU694B, LYS301A, LYS319A, LYS474A, LYS688B, PHE306A, PRO467A, THR297A, THR316A, TYR320A, TYR473A, VAL290A, VAL293A, VAL307A, VAL315A, VAL322A
• A-D: ALA416A, ALA416D, ALA433A, ALA433D, ARG397A, ARG397D, ARG443A, ARG443D, ASN412A, ASN412D, ASP396A, ASP396D, ASP408A, ASP411A, ASP411D, ASP441A, ASP441D, GLN410A, GLN410D, GLN415A, GLN415D, GLN430A, GLN430D, GLN437A, GLN437D, GLN444A, GLN444D, GLU324D, GLU407A, GLU407D, GLU418A, GLU418D, GLU427A, GLY395A, GLY395D, ILE391A, ILE391D, LEU211A, LEU211D, LEU393A, LEU413A, LEU413D, LEU414A, LEU414D, LEU417A, LEU417D, LEU419A, LEU419D, LEU431A, LEU431D, LEU435A, LEU435D, LEU436A, LEU436D, LEU442A, LEU442D, LYS373A, LYS373D, LYS404A, LYS422A, LYS422D, LYS434A, LYS434D, LYS438A, LYS438D, MET439A, MET439D, PHE387A, PHE387D, PHE432A, PHE432D, SER394A, SER394D, SER428A, SER429A, SER429D, THR440A, THR440D, THR447A, THR447D, VAL390A, VAL390D
• D-E: ALA292D, ALA300D, ARG686E, ARG692E, ASN312D, ASP310D, ASP313D, ASP475D, GLN294D, GLN314D, GLN470D, GLN695E, GLU291D, GLU295D, GLU298D, GLU471D, GLU685E, GLU696E, GLY321D, GLY697E, HIS466D, HIS687E, HIS691E, ILE296D, ILE392D, ILE472D, ILE689E, LEU311D, LEU317D, LEU318D, LEU468D, LEU469D, LEU476D, LEU690E, LEU693E, LEU694E, LYS301D, LYS319D, LYS474D, LYS688E, PHE306D, PRO467D, PRO699E, SER698E, THR297D, THR316D, THR684E, TYR320D, TYR473D, VAL290D, VAL293D, VAL307D, VAL315D, VAL322D