3UP0

nuclear receptor daf-12 from hookworm ancylostoma ceylanicum in complex with (25s)-delta7-dafachronic acid

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 49
  • Norm. En. per Res.: -5.6479
• Hub Node: A(3)

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-P	-48.5713	-58.5396	-169.635	-276.7458	49	14	8	7174	4	23	19
A-B	-8.1357	-24.423	-140.491	-173.0497	74	7	3	5734	1	34	32
A-Q	0.0	0.0	-0.0034	-0.0034	2	0	0	3	0	0	1
P-B	0.0	1.0553	-1.5147	-0.4593	9	0	0	95	0	4	5
B-Q	-45.5926	-32.7547	-166.454	-244.8013	47	5	7	6718	2	15	16

Interface residues

• A-P: ALA503A, ALA519A, ALA743P, ARG497A, ARG498A, ARG505A, ARG679A, ARG746P, ASN510A, ASN742P, ASP493A, ASP515A, ASP750P, ASP752P, ASP753P, GLN514A, GLU675A, GLU680A, GLU741P, GLY516A, GLY523A, GLY524A, LEU512A, LEU520A, LEU521A, LEU601A, LEU677A, LEU744P, LEU745P, LEU748P, LEU749P, LYS501A, LYS504A, LYS517A, LYS522A, LYS751P, MET496A, MET502A, MET525A, PHE499A, PHE509A, PHE518A, PHE681A, PHE682A, PRO676A, PRO678A, SER513A, TYR747P, VAL500A
• A-B: ALA475A, ALA519B, ALA618B, ALA659B, ARG497A, ARG498A, ARG505A, ARG536A, ARG574B, ARG605B, ARG614B, ARG652B, ARG655B, ASN466A, ASN481A, ASP467A, ASP566B, ASP606B, GLN471A, GLN571B, GLN577B, GLU470A, GLU527B, GLU551A, GLU554A, GLU570B, GLU622B, GLU656B, GLU680B, GLY464A, GLY472A, GLY523B, GLY550A, GLY662B, ILE526B, ILE608B, ILE657B, LEU479A, LEU549A, LEU651B, LEU654B, LYS463A, LYS480A, LYS501A, LYS522B, LYS683B, MET469A, MET573B, MET653B, MET663B, PHE478A, PHE681B, PHE682B, PRO468A, PRO547A, PRO604B, PRO648B, SER552A, SER553A, SER569B, SER603B, SER607B, SER658B, SER660B, SER661B, THR476A, THR545A, THR546A, THR548A, THR609B, THR649B, VAL494A, VAL567B, VAL600B
• A-Q: ASN742Q, GLN471A
• P-B: ARG614B, ASP606B, ASP610B, ASP752P, ASP753P, ILE608B, LYS751P, PRO611B, THR609B
• B-Q: ALA503B, ALA519B, ALA743Q, ARG497B, ARG498B, ARG679B, ARG746Q, ASN510B, ASN742Q, ASP493B, ASP515B, ASP750Q, ASP752Q, GLN474B, GLN514B, GLU675B, GLU680B, GLU741Q, GLY516B, GLY523B, GLY524B, LEU512B, LEU520B, LEU521B, LEU677B, LEU744Q, LEU745Q, LEU748Q, LEU749Q, LYS501B, LYS504B, LYS517B, LYS522B, LYS751Q, MET496B, MET525B, MET528B, PHE499B, PHE509B, PHE518B, PHE681B, PHE682B, PRO676B, PRO678B, SER513B, TYR747Q, VAL500B