2BEL

structure of human 11-beta-hydroxysteroid dehydrogenase in complex with nadp and carbenoxolone

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 151
  • Norm. En. per Res.: -4.0216
• 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	-78.1142	-84.1336	-445.007	-607.2549	151	20	26	18257	8	34	32
A-D	0.0	-5.1337	-12.8664	-18.0001	10	0	0	499	0	3	4
B-C	0.0	0.0	-2.07	-2.07	8	0	0	114	0	5	5
B-D	0.0	-4.3381	-29.1608	-33.4989	25	1	0	1512	0	4	4
C-D	-68.4291	-80.3762	-459.681	-608.4862	159	17	25	18974	3	37	31

Interface residues

• A-B: ALA153A, ALA153B, ALA172A, ALA172B, ALA176A, ALA176B, ALA181A, ALA181B, ALA182A, ALA182B, ALA185A, ALA185B, ALA189A, ALA189B, ALA99A, ARG137A, ARG137B, ARG198A, ARG198B, ARG273B, ASN127A, ASN127B, ASN270B, ASP131A, ASP131B, ASP132A, ASP132B, ASP191A, ASP191B, ASP95A, ASP95B, CYS272B, GLN253A, GLU100A, GLU100B, GLU141A, GLU141B, GLU200A, GLU200B, GLU254A, GLU255A, GLU277B, GLU94A, GLU94B, GLY173A, GLY173B, GLY192A, GLY192B, HIS130A, HIS130B, HIS134A, HIS135A, HIS135B, ILE133A, ILE133B, ILE197A, ILE197B, ILE268A, ILE275B, LEU128A, LEU128B, LEU145A, LEU145B, LEU150A, LEU150B, LEU155A, LEU155B, LEU190A, LEU190B, LEU212A, LEU212B, LEU266A, LEU267A, LEU276B, LYS138A, LYS159A, LYS159B, LYS174A, LYS174B, LYS187A, LYS187B, LYS199A, LYS199B, LYS274B, MET140A, MET140B, MET179A, MET179B, MET96A, MET96B, PHE129A, PHE129B, PHE144A, PHE144B, PHE188A, PHE188B, PHE193A, PHE193B, PHE194A, PHE194B, PRO156A, PRO156B, PRO178A, PRO178B, PRO271B, SER139A, SER139B, SER146A, SER146B, SER184A, SER184B, SER186A, SER186B, SER195A, SER195B, SER196A, SER196B, SER202A, SER202B, SER204A, SER204B, THR151A, THR151B, THR264A, THR97A, THR97B, TRP263A, TYR147B, TYR177A, TYR177B, TYR183A, TYR183B, TYR201A, TYR201B, TYR257A, VAL136A, VAL136B, VAL148A, VAL148B, VAL149A, VAL149B, VAL152A, VAL152B, VAL175A, VAL175B, VAL180A, VAL180B, VAL203A, VAL203B, VAL206A, VAL206B
• A-D: ASN127A, ASP95D, GLN101D, GLN105D, HIS130A, LEU128A, MET179A, PHE129A, PHE98D, THR97D
• B-C: ASN162B, ASP131C, ASP132C, GLN160B, HIS134C, HIS135C, ILE133C, MET157B
• B-D: ALA104D, ALA153D, ARG205B, GLN101D, GLN105D, GLU100D, GLU200B, GLY107D, LEU155B, LYS108D, LYS159B, LYS199B, MET157D, MET96D, PHE102D, PHE98D, PRO156B, PRO156D, SER202B, SER204B, THR97D, TYR201B, VAL103D, VAL203B, VAL206B
• C-D: ALA153C, ALA153D, ALA172C, ALA172D, ALA176C, ALA176D, ALA181C, ALA181D, ALA182C, ALA182D, ALA185C, ALA185D, ALA189C, ALA189D, ALA99D, ARG137C, ARG137D, ARG198C, ARG198D, ARG273D, ASN127C, ASN127D, ASN270C, ASN270D, ASP131C, ASP131D, ASP132C, ASP132D, ASP191C, ASP191D, ASP95C, ASP95D, CYS272D, GLN253C, GLU100C, GLU100D, GLU141C, GLU141D, GLU200C, GLU200D, GLU254C, GLU255C, GLU277D, GLU94C, GLU94D, GLY173C, GLY173D, GLY192C, GLY192D, HIS130C, HIS130D, HIS134C, HIS134D, HIS135C, HIS135D, ILE133C, ILE133D, ILE197C, ILE197D, ILE268C, ILE268D, ILE275D, LEU128C, LEU128D, LEU145C, LEU145D, LEU150C, LEU150D, LEU155C, LEU155D, LEU190C, LEU190D, LEU212C, LEU212D, LEU266C, LEU266D, LEU267C, LEU267D, LEU276D, LYS138C, LYS138D, LYS159C, LYS159D, LYS174C, LYS174D, LYS187C, LYS187D, LYS199C, LYS199D, LYS274D, MET140C, MET140D, MET179C, MET179D, MET93D, MET96C, MET96D, PHE129C, PHE129D, PHE144C, PHE144D, PHE188C, PHE188D, PHE193C, PHE193D, PHE194C, PHE194D, PRO156C, PRO156D, PRO178C, PRO178D, PRO271C, PRO271D, SER139C, SER139D, SER146C, SER146D, SER184C, SER184D, SER186C, SER186D, SER195C, SER195D, SER196C, SER196D, SER202C, SER202D, SER204C, SER204D, THR151C, THR151D, THR264C, THR97C, THR97D, TRP263C, TYR177C, TYR177D, TYR183C, TYR183D, TYR201C, TYR201D, TYR257C, VAL136C, VAL136D, VAL148C, VAL148D, VAL149C, VAL149D, VAL152C, VAL152D, VAL175C, VAL175D, VAL180C, VAL180D, VAL203C, VAL203D, VAL206C, VAL206D, VAL214C