3DWF

crystal structure of the guinea pig 11beta-hydroxysteroid dehydrogenase type 1 mutant f278e

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 231
  • Norm. En. per Res.: -4.7764
• 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-B	-124.8215	-66.2537	-881.701	-1072.7763	232	42	32	34403	11	40	37
A-C	0.0	0.0	-22.2031	-22.2031	27	3	1	1470	0	1	3
A-D	-7.3694	-25.2631	-154.781	-187.4135	69	11	2	6921	4	39	48
B-C	-16.5284	5.793	-44.8881	-55.6235	23	3	0	1665	0	4	4
B-D	0.0	0.0	-20.5457	-20.5457	22	4	0	1206	0	6	3
C-D	-142.8795	-60.4664	-899.998	-1103.344	231	35	35	33995	8	41	37

Interface residues

• A-B: ALA153A, ALA153B, ALA154A, ALA154B, ALA172A, ALA172B, ALA181A, ALA181B, ALA185A, ALA185B, ALA189A, ALA189B, ALA281A, ALA281B, ALA282A, ALA282B, ALA99A, ALA99B, ARG125A, ARG125B, ARG137A, ARG137B, ARG198A, ARG198B, ARG273A, ARG273B, ARG298A, ARG298B, ASN135A, ASN135B, ASN204A, ASN204B, ASN270A, ASN270B, ASN285A, ASN285B, ASN288A, ASN288B, ASN292A, ASN292B, ASP134A, ASP134B, ASP191A, ASP191B, ASP287A, ASP287B, ASP95A, ASP95B, GLU100A, GLU100B, GLU132A, GLU132B, GLU141A, GLU141B, GLU200A, GLU200B, GLU277A, GLU277B, GLU278A, GLU278B, GLU283A, GLU283B, GLU293A, GLU293B, GLU94A, GLU94B, GLY131A, GLY131B, GLY173A, GLY173B, GLY192A, GLY192B, GLY229A, GLY229B, GLY233A, GLY233B, GLY269A, GLY269B, GLY272A, GLY272B, GLY297B, HIS130A, HIS130B, HIS145A, HIS145B, ILE133A, ILE133B, ILE175A, ILE175B, ILE180A, ILE180B, ILE230A, ILE230B, ILE275A, ILE275B, LEU126A, LEU126B, LEU150A, LEU150B, LEU179A, LEU179B, LEU190A, LEU190B, LEU197A, LEU197B, LEU202A, LEU202B, LEU212A, LEU212B, LEU232A, LEU232B, LEU267A, LEU267B, LEU268A, LEU268B, LEU279A, LEU279B, LEU290A, LEU290B, LEU295B, LYS138A, LYS138B, LYS174A, LYS174B, LYS187A, LYS187B, LYS274A, LYS274B, LYS294B, MET140A, MET140B, MET155A, MET155B, MET159A, MET159B, MET276A, MET276B, MET93B, MET96A, MET96B, PHE128A, PHE128B, PHE129A, PHE129B, PHE144A, PHE144B, PHE188A, PHE188B, PHE193A, PHE193B, PHE194A, PHE194B, PHE201A, PHE201B, PRO156A, PRO178A, PRO178B, PRO182A, PRO182B, PRO234A, PRO234B, PRO265A, PRO265B, PRO271A, PRO271B, SER139A, SER139B, SER146A, SER146B, SER151A, SER151B, SER184A, SER184B, SER186A, SER186B, SER195A, SER195B, SER199A, SER199B, SER228A, SER228B, SER261A, SER261B, SER280A, SER280B, SER291A, SER291B, THR127A, THR127B, THR176A, THR176B, THR196A, THR196B, THR227A, THR227B, THR97A, THR97B, TRP286A, TRP286B, TRP299A, TRP299B, TYR177A, TYR177B, TYR183A, TYR183B, TYR231A, TYR231B, TYR266A, TYR266B, TYR284A, TYR284B, TYR296B, VAL136A, VAL136B, VAL148A, VAL148B, VAL149A, VAL149B, VAL152A, VAL152B, VAL171A, VAL171B, VAL203A, VAL203B, VAL206A, VAL206B, VAL259A, VAL259B, VAL264A, VAL264B, VAL289A, VAL289B
• A-C: ALA235A, ARG262A, ARG298C, ASN285C, ASN288C, ASN292C, GLU293C, GLY229A, GLY233A, GLY260A, ILE230A, LEU217A, LEU232A, LEU290C, LEU295C, LYS294C, PRO234A, SER236A, SER261A, TRP263A, TRP286C, TRP299C, TYR231A, TYR284C, VAL259A, VAL264A, VAL289C
• A-D: ALA223A, ALA223D, ALA226A, ALA226D, ALA235A, ALA90D, ARG125A, ARG125D, ARG137D, ARG48A, ARG66D, ASN124D, ASN135D, ASP134D, ASP219A, ASP95D, GLU132D, GLU221A, GLU221D, GLU239A, GLU240A, GLU69A, GLU94D, GLY131D, GLY229A, GLY229D, GLY233A, GLY45A, GLY91D, HIS130D, ILE133D, ILE218A, ILE224A, ILE224D, ILE230A, ILE230D, LEU122D, LEU126A, LEU126D, LEU179D, LEU217A, LEU232A, LYS138D, LYS225A, LYS225D, LYS238A, LYS44A, LYS44D, LYS68D, LYS73A, PHE128D, PHE129D, PHE98D, PRO234A, PRO237A, SER228A, SER228D, SER236A, SER92D, THR127D, THR220A, THR222A, THR222D, THR227A, THR227D, TYR123D, TYR231A, TYR231D, VAL121D
• B-C: ALA281B, ALA282B, ASN285B, ASN285C, ASN288B, ASN288C, ASN292C, ASP287B, ASP287C, GLU278B, GLU283B, GLU293C, LEU279B, LEU290B, LEU295C, LYS294C, MET276B, SER280B, SER291C, TRP286B, TYR284B, VAL289B, VAL289C
• B-D: ALA223D, ALA226D, ASN285B, ASN288B, ASN292B, ASP287B, GLU221D, GLU293B, GLY229D, ILE224D, ILE230D, LEU126D, LEU232D, LEU295B, LYS225D, LYS294B, SER228D, SER291B, THR227D, TRP286B, TYR231D, VAL289B
• C-D: ALA153C, ALA153D, ALA172C, ALA172D, ALA181C, ALA181D, ALA185C, ALA185D, ALA189C, ALA189D, ALA226C, ALA281C, ALA281D, ALA282C, ALA282D, ALA99C, ALA99D, ARG125C, ARG137C, ARG137D, ARG198C, ARG198D, ARG273C, ARG273D, ARG298C, ARG298D, ASN135C, ASN135D, ASN204C, ASN204D, ASN270C, ASN270D, ASN285C, ASN285D, ASN288C, ASN288D, ASN292C, ASN292D, ASP134C, ASP134D, ASP191C, ASP191D, ASP287C, ASP287D, ASP95C, ASP95D, GLU100C, GLU100D, GLU132C, GLU132D, GLU141C, GLU141D, GLU200C, GLU200D, GLU277C, GLU277D, GLU278C, GLU278D, GLU283C, GLU283D, GLU293C, GLU293D, GLU94C, GLU94D, GLY131C, GLY131D, GLY173C, GLY173D, GLY192C, GLY192D, GLY229C, GLY229D, GLY233C, GLY233D, GLY269C, GLY269D, GLY272C, GLY272D, GLY297D, HIS130C, HIS130D, HIS145C, HIS145D, ILE133C, ILE133D, ILE175C, ILE175D, ILE180C, ILE180D, ILE230C, ILE230D, ILE275C, ILE275D, LEU126C, LEU126D, LEU150C, LEU150D, LEU179C, LEU179D, LEU190C, LEU190D, LEU197C, LEU197D, LEU202C, LEU202D, LEU212C, LEU212D, LEU232C, LEU232D, LEU267C, LEU267D, LEU268C, LEU268D, LEU279C, LEU279D, LEU290C, LEU290D, LEU295C, LEU295D, LYS138C, LYS138D, LYS174C, LYS174D, LYS187C, LYS187D, LYS274C, LYS274D, LYS294C, LYS294D, MET140C, MET140D, MET155C, MET155D, MET159C, MET159D, MET276C, MET276D, MET96C, MET96D, PHE128C, PHE128D, PHE129C, PHE129D, PHE144C, PHE144D, PHE188C, PHE188D, PHE193C, PHE193D, PHE194C, PHE194D, PHE201C, PHE201D, PRO178C, PRO178D, PRO182C, PRO182D, PRO234C, PRO234D, PRO265C, PRO265D, PRO271C, PRO271D, SER139C, SER139D, SER146C, SER146D, SER151C, SER151D, SER184C, SER184D, SER186C, SER186D, SER195C, SER195D, SER199C, SER199D, SER228C, SER228D, SER261C, SER261D, SER280C, SER280D, SER291C, SER291D, THR127C, THR127D, THR176C, THR176D, THR196C, THR196D, THR227C, THR227D, THR97C, THR97D, TRP286C, TRP286D, TRP299C, TRP299D, TYR177C, TYR177D, TYR183C, TYR183D, TYR231C, TYR231D, TYR257D, TYR266C, TYR266D, TYR284C, TYR284D, TYR296D, VAL136C, VAL136D, VAL148C, VAL148D, VAL149C, VAL149D, VAL152C, VAL152D, VAL171C, VAL171D, VAL203C, VAL203D, VAL206C, VAL206D, VAL259C, VAL259D, VAL264C, VAL264D, VAL289C, VAL289D