2XTW

structure of qnrb1 (full length), a plasmid-mediated fluoroquinolone resistance protein

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 66
  • Norm. En. per Res.: -3.3021
• Hub Node: A(2)

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-C	-28.4478	-14.9533	-214.949	-258.3501	104	14	0	9356	2	15	20
A-D	-4.2045	0.0	-132.857	-137.0615	62	6	11	6134	0	8	10
B-C	-36.045	0.0	-181.894	-217.939	66	16	16	8170	0	8	9
B-D	0.0	0.0	-3.4373	-3.4373	37	0	0	498	0	10	14

Interface residues

• A-C: ALA149A, ALA149C, ALA168A, ALA168C, ALA59A, ALA59C, ALA81A, ALA81C, ALA99A, ALA99C, ARG108A, ARG108C, ARG12A, ARG12C, ARG58A, ARG58C, ARG77A, ARG77C, ARG97A, ARG97C, ASN103A, ASN103C, ASN125A, ASN125C, ASN170A, ASN170C, ASN55A, ASN55C, ASN78A, ASN78C, ASP75A, ASP75C, ASP95A, ASP95C, CYS112A, CYS112C, GLN145A, GLN145C, GLU132A, GLU132C, GLY148A, GLY148C, GLY32A, GLY32C, GLY98A, GLY98C, ILE105A, ILE105C, LEU131A, LEU131C, LEU147A, LEU147C, LEU61A, LEU61C, LEU82A, LEU82C, LYS128A, LYS128C, LYS62A, LYS62C, MET102A, MET102C, MET104A, MET104C, MET60A, MET60C, PHE101A, PHE101C, PHE111A, PHE111C, PHE126A, PHE126C, PHE96A, PHE96C, SER100A, SER100C, SER127A, SER127C, SER152A, SER152C, SER31A, SER31C, SER57A, SER57C, SER79A, SER79C, SER80A, SER80C, THR106A, THR106C, THR107A, THR107C, THR109A, THR109C, THR150A, THR150C, TRP110A, TRP110C, VAL129A, VAL129C, VAL130A, VAL130C, VAL146A, VAL146C
• A-D: ALA201A, ALA201D, ARG187A, ARG187D, ARG207A, ARG207D, ASN198A, ASN198D, ASP175D, ASP185A, ASP185D, ASP190A, ASP190D, ASP197A, ASP197D, CYS174A, CYS174D, GLN192A, GLN192D, GLN200A, GLN200D, GLU206A, GLU206D, GLY188A, GLY188D, GLY193A, GLY193D, GLY209A, GLY209D, HIS173A, HIS173D, ILE186A, ILE186D, ILE210A, ILE210D, LEU176A, LEU176D, LEU184A, LEU184D, LEU191A, LEU191D, LEU196A, LEU196D, LEU203A, LEU203D, LEU204A, LEU204D, LEU208A, LEU208D, LYS195A, LYS195D, MET205A, MET205D, SER202A, SER202D, THR177A, THR177D, TYR199D, VAL189A, VAL189D, VAL194A, VAL194D
• B-C: ALA201B, ALA201C, ALA211B, ALA211C, ARG187B, ARG187C, ARG207B, ARG207C, ASN198B, ASN198C, ASP175B, ASP175C, ASP190B, ASP190C, ASP197B, ASP197C, CYS174B, CYS174C, GLN192B, GLN192C, GLN200B, GLN200C, GLU206B, GLU206C, GLY188B, GLY188C, GLY193B, GLY193C, GLY209B, GLY209C, HIS173B, HIS173C, ILE186B, ILE186C, ILE210B, ILE210C, LEU176B, LEU176C, LEU184B, LEU184C, LEU191B, LEU191C, LEU196B, LEU196C, LEU203C, LEU204B, LEU204C, LEU208B, LEU208C, LYS195B, LYS195C, MET205B, MET205C, SER202B, SER202C, THR172B, THR177B, THR177C, TYR199B, TYR199C, VAL189B, VAL189C, VAL194B, VAL194C, VAL212B, VAL212C
• B-D: ARG58B, ARG58D, ARG77B, ARG77D, ARG97B, ARG97D, ASN27B, ASN55B, ASN55D, ASN78D, ASP29B, ASP29D, ASP75D, GLN145B, GLN145D, GLN51B, GLN51D, GLU49B, LEU147B, LEU147D, LYS52B, LYS52D, LYS9B, LYS9D, MET73B, MET73D, SER31B, SER31D, SER50B, SER50D, SER57B, SER57D, THR163B, THR163D, TYR123B, TYR123D, TYR46B