3KUW

structural basis of the activity ans substrate specificity of the fluoroacetyl-coa thioesterase flk - t42s mutant in complex with fluoro-acetate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 189
  • Norm. En. per Res.: -1.9464
• 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	-160.968	-142.5552	-64.3466	-367.8698	189	28	9	22354	11	50	32

Interface residues

• A-B: ALA121B, ALA130B, ALA34B, ALA41A, ALA41B, ALA52A, ALA52B, ALA56A, ALA56B, ALA58A, ALA58B, ALA71A, ALA71B, ALA78A, ALA78B, ALA79A, ALA79B, ARG120A, ARG120B, ARG133A, ARG133B, ARG24A, ARG24B, ARG55A, ARG55B, ARG99B, ASN129A, ASN129B, ASP108A, ASP108B, ASP111A, ASP111B, CYS53A, CYS53B, CYS73A, CYS73B, GLN134A, GLN134B, GLU112A, GLU112B, GLU119A, GLU119B, GLU126A, GLU126B, GLU29A, GLU29B, GLU32A, GLU32B, GLU35A, GLU35B, GLU38A, GLU38B, GLU50A, GLU50B, GLU65B, GLY109A, GLY109B, GLY114A, GLY114B, GLY116A, GLY116B, GLY43A, GLY43B, GLY47A, GLY47B, GLY66A, GLY66B, GLY69A, GLY69B, GLY83A, GLY83B, HIS107A, HIS107B, HIS118A, HIS118B, HIS124A, HIS124B, HIS13A, HIS13B, HIS20A, HIS20B, HIS25A, HIS25B, HIS76A, HIS76B, ILE113A, ILE113B, ILE123A, ILE123B, ILE72A, ILE72B, LEU125A, LEU125B, LEU26A, LEU26B, LEU48A, LEU48B, LEU61A, LEU68A, LEU68B, LEU84A, LEU84B, LYS131A, LYS131B, LYS135A, LYS135B, LYS21A, LYS21B, MET45A, MET45B, MET49A, MET49B, MET57A, PHE11A, PHE128A, PHE128B, PHE15A, PHE15B, PHE33A, PHE33B, PHE36A, PHE36B, PHE40A, PHE40B, PHE44A, PHE44B, PRO137A, PRO137B, PRO18A, PRO18B, PRO28A, PRO28B, PRO31A, PRO31B, PRO37A, PRO37B, PRO81A, PRO81B, PRO82A, PRO82B, SER115A, SER115B, SER30A, SER30B, SER42A, SER42B, SER67A, SER67B, THR117A, THR117B, THR136A, THR136B, THR22A, THR22B, THR70A, THR70B, THR75A, THR75B, THR77A, THR77B, THR80A, THR80B, THR85A, THR85B, TRP51A, TRP51B, TYR27A, TYR27B, VAL110A, VAL110B, VAL132A, VAL132B, VAL16A, VAL16B, VAL17A, VAL17B, VAL23A, VAL23B, VAL39A, VAL39B, VAL46A, VAL46B, VAL54A, VAL54B, VAL74A, VAL74B, VAL86A, VAL86B, VAL88B