3PDJ

crystal structure of human 11-beta-hydroxysteroid dehydrogenase 1 (11b-hsd1) in complex with 4,4-disubstituted cyclohexylbenzamide inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 225
  • Norm. En. per Res.: -4.6713
• Hub Node: A(1)

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	-137.0565	-74.0585	-839.928	-1051.043	225	27	37	32530	5	38	39

Interface residues

• A-B: ALA153A, ALA153B, ALA172A, ALA172B, ALA176A, ALA176B, ALA181A, ALA181B, ALA182A, ALA182B, ALA185A, ALA185B, ALA189A, ALA189B, ALA235A, ALA235B, ALA99A, ALA99B, ARG137A, ARG137B, ARG198A, ARG198B, ARG269A, ARG269B, ARG273A, ARG273B, ARG288A, ARG288B, ASN127A, ASN127B, ASN270A, ASN270B, ASN285A, ASN285B, ASN291B, ASP131A, ASP131B, ASP132A, ASP132B, ASP191A, ASP191B, ASP259A, ASP259B, ASP287A, ASP287B, ASP95A, ASP95B, GLN234A, GLN234B, GLU100A, GLU100B, GLU141A, GLU141B, GLU200A, GLU200B, GLU277A, GLU277B, GLU94A, GLU94B, GLY173A, GLY173B, GLY192A, GLY192B, GLY216A, GLY216B, HIS130A, HIS130B, HIS134A, HIS134B, HIS135A, HIS135B, HIS232A, HIS232B, ILE133A, ILE133B, ILE197A, ILE197B, ILE230A, ILE230B, ILE268A, ILE268B, ILE275A, ILE275B, ILE290A, ILE290B, LEU128A, LEU128B, LEU145A, LEU145B, LEU150A, LEU150B, LEU155A, LEU155B, LEU171A, LEU171B, LEU190A, LEU190B, LEU212A, LEU212B, LEU215B, LEU217A, LEU217B, LEU262A, LEU262B, LEU266A, LEU266B, LEU267A, LEU267B, LEU276A, LEU276B, LEU279A, LEU279B, LYS138A, LYS138B, LYS159A, LYS159B, LYS174A, LYS174B, LYS187A, LYS187B, LYS199A, LYS199B, LYS274A, LYS274B, LYS292B, MET140A, MET140B, MET179A, MET179B, MET233A, MET233B, MET286A, MET286B, MET93B, MET96A, MET96B, PHE129A, PHE129B, PHE144A, PHE144B, PHE188A, PHE188B, PHE193A, PHE193B, PHE194A, PHE194B, PHE278A, PHE278B, PHE289A, PHE289B, PRO156A, PRO156B, PRO178A, PRO178B, PRO271A, PRO271B, SER139A, SER139B, SER146A, SER146B, SER184A, SER184B, SER186A, SER186B, SER195A, SER195B, SER196A, SER196B, SER202A, SER202B, SER204A, SER204B, SER260A, SER260B, SER261A, SER261B, SER272A, SER272B, SER281A, SER281B, SER283A, SER283B, THR151A, THR151B, THR264A, THR264B, THR265A, THR265B, THR282A, THR282B, THR97A, TRP263A, TRP263B, TYR147B, TYR177A, TYR177B, TYR183A, TYR183B, TYR201A, TYR201B, TYR257B, TYR280A, TYR280B, TYR284A, TYR284B, VAL136A, VAL136B, VAL148A, VAL148B, VAL149A, VAL149B, VAL152A, VAL152B, VAL175A, VAL175B, VAL180A, VAL180B, VAL203A, VAL203B, VAL206A, VAL206B, VAL214A, VAL214B, VAL231A, VAL231B