2FVL

crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (akr1c4) complexed with nadp+

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 40
  • Norm. En. per Res.: -2.0148
• 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	-8.6665	-10.9882	-60.9391	-80.5938	40	0	0	2349	0	11	18
A-C	-8.0692	-5.6297	-67.8732	-81.5721	45	4	0	2498	0	14	19
B-C	-3.1556	-4.0495	-62.0381	-69.2432	42	1	0	2415	0	13	20

Interface residues

• A-B: ARG171A, ARG171B, ARG223A, ARG301A, ARG304A, ASN178B, ASN231A, ASN300A, ASN302A, ASP229A, ASP309A, ASP321A, GLU149B, GLU174B, GLU322A, GLY181B, ILE176B, LEU177B, LEU182B, LEU197A, LYS179B, LYS201A, LYS209B, MET175B, MET312A, PHE205B, PHE319A, PRO180B, PRO230A, PRO233A, SER232A, SER320A, TYR170B, TYR303A, TYR305A, TYR317A, TYR323A, TYR323B, VAL228A, VAL307A
• A-C: ARG171A, ARG171C, ARG223C, ARG301C, ARG304C, ASN178A, ASN231C, ASN300C, ASN302C, ASP143A, ASP229C, ASP309C, ASP321A, ASP321C, GLU149A, GLU174A, GLU322A, GLU322C, GLY181A, ILE176A, LEU177A, LEU182A, LEU197C, LYS179A, LYS201A, LYS201C, LYS209A, MET175A, MET312C, PHE205A, PHE319C, PRO180A, PRO230C, PRO233C, SER232C, SER320C, TYR170A, TYR196C, TYR303C, TYR305C, TYR317C, TYR323A, TYR323C, VAL228C, VAL307C
• B-C: ARG171B, ARG171C, ARG223B, ARG301B, ARG304B, ASN169B, ASN178C, ASN231B, ASN300B, ASN302B, ASP143C, ASP229B, ASP309B, ASP321B, ASP321C, GLU174C, GLU322B, GLY181C, ILE176C, LEU177C, LEU182C, LEU197B, LYS179C, LYS201B, LYS209C, MET175C, MET312B, PHE205C, PHE319B, PRO180C, PRO230B, PRO233B, SER232B, SER320B, TYR170C, TYR303B, TYR305B, TYR317B, TYR323B, TYR323C, VAL228B, VAL307B