3QNB

crystal structure of an engineered oxa-10 variant with carbapenemase activity, oxa-10loop24

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 123
  • Norm. En. per Res.: -4.4525
• 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-D	-59.3294	-197.8522	-290.472	-547.6535	123	11	7	12022	15	61	57
B-C	-54.3344	-194.8262	-291.065	-540.2256	123	11	7	11984	17	62	56

Interface residues

• A-D: ALA111A, ALA111D, ALA191A, ALA191D, ALA196A, ALA196D, ALA197A, ALA197D, ARG104A, ARG104D, ARG109A, ARG109D, ASN176A, ASN176D, ASN184A, ASN184D, ASN85A, ASN85D, ASP105A, ASP105D, GLN101A, GLN101D, GLN113A, GLN113D, GLN185A, GLN185D, GLN88A, GLN88D, GLU171A, GLU171D, GLU183A, GLU183D, GLU190A, GLU190D, GLU195A, GLU195D, GLU199A, GLU199D, GLU227A, GLU227D, GLU229A, GLU229D, GLU231A, GLU231D, GLU86A, GLU86D, GLY110A, GLY110D, HIS203A, HIS203D, HIS87A, HIS87D, ILE112A, ILE187A, ILE187D, LEU106A, LEU106D, LEU108A, LEU108D, LEU173A, LEU173D, LEU175A, LEU175D, LEU186A, LEU186D, LEU192A, LEU192D, LEU201A, LEU201D, LEU78A, LEU78D, LYS177A, LYS177D, LYS182A, LYS182D, LYS189A, LYS189D, LYS228A, LYS228D, LYS251A, LYS251D, LYS84A, LYS84D, LYS91A, LYS91D, PHE234A, PHE234D, PHE90A, PHE90D, PRO198A, PRO198D, SER115A, SER172A, SER172D, SER181A, SER181D, THR107A, THR107D, THR194A, THR194D, THR230A, THR230D, TRP102A, TRP225A, TRP225D, TRP92A, TRP92D, TYR174A, TYR174D, TYR200A, TYR200D, VAL114A, VAL114D, VAL188A, VAL188D, VAL193A, VAL193D, VAL202A, VAL202D, VAL232A, VAL232D, VAL89A, VAL89D
• B-C: ALA111B, ALA111C, ALA191B, ALA191C, ALA196B, ALA196C, ALA197B, ALA197C, ARG104B, ARG104C, ARG109B, ARG109C, ASN176B, ASN176C, ASN184B, ASN184C, ASN85B, ASN85C, ASP105B, ASP105C, GLN101B, GLN101C, GLN113B, GLN113C, GLN185B, GLN185C, GLN88B, GLN88C, GLU171B, GLU171C, GLU183B, GLU183C, GLU190B, GLU190C, GLU195B, GLU195C, GLU199B, GLU199C, GLU227B, GLU227C, GLU229B, GLU229C, GLU231B, GLU231C, GLU86B, GLU86C, GLY110B, GLY110C, HIS203B, HIS203C, HIS87B, HIS87C, ILE112B, ILE187B, ILE187C, LEU106B, LEU106C, LEU108B, LEU108C, LEU173B, LEU173C, LEU175B, LEU175C, LEU186B, LEU186C, LEU192B, LEU192C, LEU201B, LEU201C, LEU78B, LEU78C, LYS177B, LYS177C, LYS182B, LYS182C, LYS189B, LYS189C, LYS228B, LYS228C, LYS251B, LYS251C, LYS84B, LYS84C, LYS91B, LYS91C, PHE234B, PHE234C, PHE90B, PHE90C, PRO198B, PRO198C, SER115B, SER172B, SER172C, SER181B, SER181C, THR107B, THR107C, THR194B, THR194C, THR230B, THR230C, TRP102B, TRP225B, TRP225C, TRP92B, TRP92C, TYR174B, TYR174C, TYR200B, TYR200C, VAL114B, VAL114C, VAL188B, VAL188C, VAL193B, VAL193C, VAL202B, VAL202C, VAL232B, VAL232C, VAL89B, VAL89C