3CAS

crystal structure of 5beta-reductase (akr1d1) in complex with nadp+ and 4-androstenedione

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 57
  • Norm. En. per Res.: -2.0649
• 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	-7.3922	-44.6235	-65.6847	-117.7004	57	6	1	3552	2	34	30

Interface residues

• A-B: ALA242A, ALA301A, ALA38B, ARG104B, ARG107B, ARG307A, ARG69B, ASN232A, ASN303A, ASN305A, ASN60B, ASP129B, ASP241A, ASP298A, GLN110B, GLN59B, GLU103B, GLU130B, GLU293A, GLU294A, GLU295A, GLU300A, GLU310A, GLU325A, GLU63B, GLU66B, GLY128B, GLY35B, HIS323A, HIS62B, ILE131B, ILE299A, LEU106B, LEU109B, LEU243A, LEU244A, LEU247A, LEU302A, LYS204A, LYS207A, LYS297A, LYS304A, LYS30B, LYS34B, MET296A, PHE200A, PRO100B, PRO203A, PRO236A, SER234A, SER235A, SER246A, THR105B, TYR199A, TYR56B, VAL108B, VAL306A