3E1H

crystal structure of a type iii polyketide synthase pksiiinc from neurospora crassa

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 231
  • Norm. En. per Res.: -4.0973
• 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	-117.3925	-202.0994	-626.992	-946.4838	231	45	13	25916	11	66	83

Interface residues

• A-B: ALA124A, ALA124B, ALA133A, ALA133B, ALA157A, ALA157B, ALA158A, ALA158B, ALA162A, ALA162B, ALA163A, ALA163B, ALA171A, ALA171B, ALA280A, ALA280B, ARG141A, ARG141B, ARG160A, ARG160B, ARG172A, ARG172B, ARG204A, ARG241A, ARG241B, ASN125A, ASN125B, ASN164A, ASN164B, ASN240A, ASN240B, ASN379A, ASN379B, ASP122A, ASP122B, ASP129A, ASP129B, ASP140A, ASP140B, ASP245A, ASP245B, ASP249A, ASP249B, ASP253A, ASP253B, ASP255A, ASP255B, ASP281A, ASP281B, CYS120A, CYS120B, CYS152A, CYS152B, CYS166A, CYS166B, GLN289B, GLU143A, GLU143B, GLU184A, GLU239A, GLU239B, GLU247A, GLU247B, GLU381A, GLU381B, GLU81A, GLU81B, GLU84A, GLU84B, GLU9A, GLU9B, GLY127A, GLY127B, GLY149A, GLY149B, GLY151A, GLY151B, GLY168A, GLY168B, GLY173A, GLY173B, GLY237A, GLY237B, GLY251A, GLY251B, GLY258A, GLY258B, GLY375A, GLY375B, GLY377A, GLY377B, GLY8A, GLY8B, HIS114A, HIS114B, HIS130A, HIS130B, HIS148A, HIS148B, HIS169A, HIS169B, HIS248A, HIS248B, HIS83A, HIS83B, ILE150A, ILE150B, ILE178A, ILE178B, ILE243A, ILE243B, ILE378A, ILE378B, LEU10A, LEU10B, LEU12A, LEU12B, LEU138A, LEU138B, LEU142A, LEU142B, LEU146A, LEU146B, LEU147A, LEU147B, LEU165A, LEU165B, LEU167A, LEU167B, LEU200A, LEU200B, LEU235A, LEU235B, LEU236A, LEU236B, LEU250A, LEU250B, LEU282A, LEU283A, LEU286A, LEU286B, LEU82A, LEU82B, LYS134A, LYS134B, LYS144A, LYS144B, LYS174A, LYS174B, LYS260A, LYS260B, LYS80A, LYS80B, MET115A, MET115B, MET189B, MET257A, MET257B, MET382A, MET87A, MET87B, PHE252A, PHE252B, PHE86A, PHE86B, PRO126A, PRO126B, PRO244A, PRO244B, PRO256A, PRO256B, PRO277A, PRO277B, PRO376A, PRO376B, PRO77A, PRO77B, SER117A, SER117B, SER123A, SER123B, SER139A, SER139B, SER246A, SER246B, SER274A, SER284A, SER285A, SER285B, SER340A, THR113A, THR113B, THR118A, THR118B, THR119A, THR119B, THR121A, THR121B, THR161A, THR161B, THR170A, THR170B, THR278A, THR278B, THR78A, THR78B, TRP238A, TRP238B, TRP259A, TRP259B, TYR128A, TYR128B, TYR131A, TYR131B, TYR279A, VAL116A, VAL116B, VAL145A, VAL145B, VAL242A, VAL242B, VAL254A, VAL254B, VAL261A, VAL261B, VAL262A, VAL262B, VAL380A, VAL380B, VAL79A, VAL79B