3D24

crystal structure of ligand-binding domain of estrogen- related receptor alpha (erralpha) in complex with the peroxisome proliferators-activated receptor coactivator- 1alpha box3 peptide (pgc-1alpha)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 131
  • Norm. En. per Res.: -4.3505
• 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	-31.3281	10.1735	-155.931	-177.0856	47	18	6	6280	0	10	10
A-C	-73.3102	-147.1517	-349.459	-569.9209	131	44	5	14959	9	75	46
C-D	-32.6076	-14.4422	-172.803	-219.8528	54	10	5	7703	2	13	10

Interface residues

• A-B: ALA243A, ALA420A, ARG205B, ARG234A, ASN217B, ASP233A, ASP256A, CYS207B, GLN257A, GLN262A, GLU209B, GLU416A, GLU419A, HIS341A, HIS411A, ILE236A, ILE240A, LEU210B, LEU211B, LEU214B, LEU254A, LEU261A, LEU413A, LEU415A, LYS212B, LYS244A, LYS412A, MET258A, MET417A, PHE249A, PHE414A, PRO206B, SER208B, SER241A, SER250A, SER253A, SER255A, SER259A, SER263A, THR215B, THR216B, THR239A, TRP265A, TYR213B, VAL237A, VAL238A, VAL260A
• A-C: ALA307A, ALA307C, ALA308A, ALA308C, ALA318A, ALA318C, ALA333A, ALA333C, ALA335A, ALA335C, ALA345A, ALA345C, ALA354A, ALA354C, ALA358A, ALA364C, ALA367C, ALA378A, ALA378C, ALA392A, ALA392C, ARG314A, ARG314C, ARG315A, ARG315C, ARG352A, ARG352C, ARG366C, ARG375A, ARG375C, ARG376A, ARG376C, ARG377A, ARG377C, ARG380A, ARG380C, ARG389A, ARG389C, ASN336A, ASN336C, ASP338A, ASP338C, ASP423C, GLN311A, GLN311C, GLN350A, GLN350C, GLN390A, GLN390C, GLU267A, GLU267C, GLU294C, GLU304A, GLU304C, GLU346A, GLU346C, GLU349A, GLU349C, GLU353A, GLU353C, GLU357A, GLU357C, GLU361A, GLU361C, GLU363A, GLU363C, GLU374A, GLY365C, GLY379A, GLY379C, GLY393A, GLY393C, HIS341A, HIS341C, HIS356A, HIS356C, ILE342A, ILE342C, LEU310C, LEU312A, LEU312C, LEU319A, LEU319C, LEU329A, LEU329C, LEU332A, LEU332C, LEU351A, LEU355A, LEU355C, LEU359A, LEU359C, LEU360A, LEU360C, LEU381A, LEU381C, LEU382A, LEU382C, LEU383A, LEU383C, LEU385A, LEU385C, LEU387A, LEU387C, LEU388A, LEU388C, LEU396A, LEU396C, LYS394A, LYS394C, MET421C, MET422C, PRO386A, PRO386C, SER263A, SER263C, SER337A, SER337C, SER339A, SER339C, THR384A, THR384C, THR391A, THR391C, TYR362C, VAL264A, VAL264C, VAL340A, VAL340C, VAL348A, VAL348C
• C-D: ALA243C, ALA420C, ARG205D, ARG234C, ASN217D, ASP218D, ASP233C, ASP256C, ASP423C, CYS207D, GLN257C, GLN262C, GLU209D, GLU416C, GLU419C, HIS341C, HIS411C, ILE236C, ILE240C, ILE342C, LEU210D, LEU211D, LEU214D, LEU254C, LEU261C, LEU413C, LEU415C, LYS212D, LYS244C, LYS412C, MET258C, MET417C, MET421C, MET422C, PHE249C, PHE414C, PRO206D, SER208D, SER241C, SER250C, SER253C, SER255C, SER259C, SER263C, SER339C, THR215D, THR216D, THR239C, TRP265C, TYR213D, VAL237C, VAL238C, VAL260C, VAL340C