2IPJ

crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant y24a in complex with nadp+ and epi-testosterone

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 134
  • Norm. En. per Res.: -2.3685
• 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	-81.2794	-0.6917	-235.402	-317.3732	134	20	0	10804	2	62	70

Interface residues

• A-B: ALA44A, ALA44B, ARG200A, ARG200B, ARG250A, ARG250B, ARG258A, ARG258B, ARG263A, ARG263B, ARG76A, ARG76B, ASN11A, ASN11B, ASP112A, ASP112B, ASP12A, ASP12B, ASP204A, ASP204B, ASP210A, ASP210B, ASP297A, ASP297B, ASP78A, ASP78B, CYS206A, CYS206B, CYS7A, CYS7B, GLN262A, GLN262B, GLN282A, GLN282B, GLN287A, GLN287B, GLN6A, GLN6B, GLU285A, GLU285B, GLU291A, GLU291B, GLU292A, GLU292B, GLU77A, GLU77B, GLY13A, GLY13B, GLY264A, GLY264B, GLY45A, GLY45B, HIS14A, HIS14B, HIS248A, HIS248B, HIS47A, HIS47B, ILE211A, ILE211B, ILE79A, ILE79B, LEU10A, LEU10B, LEU203A, LEU203B, LEU213A, LEU213B, LEU261A, LEU261B, LEU288A, LEU288B, LYS161A, LYS161B, LYS185A, LYS185B, LYS201A, LYS201B, LYS207A, LYS207B, LYS209A, LYS209B, LYS247A, LYS247B, LYS294A, LYS294B, LYS4A, LYS4B, LYS75A, LYS75B, LYS9A, LYS9B, MET16A, MET16B, MET293A, MET293B, PHE15A, PHE15B, PHE205A, PHE205B, PHE284A, PHE284B, PHE286A, PHE286B, PHE80A, PHE80B, PRO17A, PRO17B, SER208A, SER208B, SER290A, SER290B, SER3A, SER3B, THR289A, THR289B, TYR110A, TYR110B, TYR5A, TYR5B, VAL187A, VAL187B, VAL18A, VAL18B, VAL212A, VAL212B, VAL265A, VAL265B, VAL281A, VAL281B, VAL283A, VAL283B, VAL8A, VAL8B