1NRL

crystal structure of the human pxr-lbd in complex with an src-1 coactivator peptide and sr12813

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 52
  • Norm. En. per Res.: -4.1648
• 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	-75.5636	17.9666	-249.526	-307.123	75	13	3	8122	0	19	12
A-C	-28.9312	-9.3033	-162.289	-200.5235	55	8	7	7339	0	18	15
B-D	-36.2003	-14.7245	-165.647	-216.5718	52	9	6	7352	0	17	15

Interface residues

• A-B: ALA229A, ALA229B, ARG173A, ARG173B, ARG216A, ARG216B, ARG303A, ARG303B, ASN171A, ASN171B, ASN224A, ASN224B, ASP219A, ASP219B, ASP230A, ASP230B, GLN214A, GLN214B, GLU218A, GLU218B, GLU235A, GLU235B, GLY176A, GLY176B, GLY217A, GLY217B, GLY220A, GLY220B, GLY232A, GLY233A, HIS242A, HIS242B, ILE236A, ILE236B, LEU174A, LEU174B, LEU213A, LEU213B, LEU215A, LEU215B, LEU239A, LEU239B, LEU304A, LEU304B, LYS210A, LYS210B, LYS226A, LYS226B, LYS234A, LYS234B, PHE172A, PHE172B, PHE237A, PRO175A, PRO175B, PRO227A, PRO227B, PRO228A, PRO228B, SER212A, SER212B, SER221A, SER221B, SER231A, SER231B, SER238A, SER238B, TRP223A, TRP223B, TYR225A, TYR225B, VAL177A, VAL177B, VAL222A, VAL222B
• A-C: ALA258A, ALA280A, ARG265A, ARG686C, ARG692C, ASP271A, GLN272A, GLN426A, GLN695C, GLU270A, GLU427A, GLU685C, GLU696C, GLY253A, GLY278A, GLY355A, GLY430A, HIS687C, HIS691C, ILE254A, ILE255A, ILE269A, ILE273A, ILE431A, ILE689C, LEU275A, LEU276A, LEU348A, LEU357A, LEU424A, LEU428A, LEU683C, LEU690C, LEU693C, LEU694C, LYS252A, LYS259A, LYS277A, LYS688C, MET425A, PHE251A, PHE264A, PHE429A, PRO268A, PRO354A, PRO423A, SER256A, SER274A, SER682C, THR248A, THR422A, THR432A, THR684C, VAL260A, VAL356A
• B-D: ALA258B, ALA280B, ARG265B, ARG686D, ARG692D, ASP271B, GLN272B, GLN426B, GLN695D, GLU270B, GLU427B, GLU685D, GLU696D, GLY253B, GLY278B, GLY355B, GLY430B, HIS687D, HIS691D, ILE255B, ILE269B, ILE273B, ILE431B, ILE689D, LEU275B, LEU276B, LEU348B, LEU357B, LEU424B, LEU428B, LEU683D, LEU690D, LEU693D, LEU694D, LYS252B, LYS259B, LYS277B, LYS688D, MET425B, PHE251B, PHE264B, PHE429B, PRO268B, PRO354B, PRO423B, SER256B, SER274B, SER682D, THR248B, THR422B, THR684D, VAL356B