3MJE

structure of a-type ketoreductases from modular polyketide synthase

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 76
  • Norm. En. per Res.: -0.976
• 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	0.0	3.3375	-77.5107	-74.1732	76	7	3	4240	0	18	19

Interface residues

• A-B: ALA13A, ALA13B, ALA198A, ALA202B, ALA204A, ALA204B, ALA205A, ALA205B, ALA207A, ALA207B, ALA2A, ALA2B, ALA460A, ALA468A, ARG11A, ARG11B, ARG131A, ARG131B, ARG175B, ARG200A, ARG200B, ASN10A, ASN10B, ASN434A, ASP1B, GLU14A, GLU14B, GLU186A, GLU467A, GLU467B, GLY184A, GLY195B, GLY210A, GLY210B, GLY212A, GLY212B, HIS-1B, HIS203A, HIS203B, LEU197B, LEU462A, LEU472A, LYS213A, LYS213B, PRO15A, PRO206A, PRO206B, PRO209A, PRO209B, PRO466A, PRO466B, SER-2A, SER-2B, SER194B, SER211A, SER211B, SER463A, SER463B, SER470A, SER470B, SER473A, THR464A, THR464B, TRP446A, TRP446B, TRP9B, TYR5B, VAL12A, VAL12B, VAL196B, VAL208A, VAL208B, VAL465A, VAL465B, VAL469A, VAL469B