3IF6

crystal structure of oxa-46 beta-lactamase from p. aeruginosa

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 115
  • Norm. En. per Res.: -3.8774
• 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	-48.2882	23.1116	-242.156	-267.3326	104	12	4	9400	2	32	31
B-C	-42.4594	-130.5621	-272.876	-445.8975	115	11	5	11693	19	65	75

Interface residues

• A-B: ALA105B, ALA116A, ALA251A, ALA253A, ALA255A, ALA71A, ALA71B, ARG102B, ARG118A, ARG216A, ARG216B, ARG242A, ARG242B, ARG249A, ARG249B, ARG254A, ARG258A, ASN101B, ASN108B, ASN119A, ASN163B, ASN241A, ASN241B, ASN266A, ASP157B, ASP161B, ASP244A, ASP244B, ASP245A, ASP245B, ASP37A, ASP37B, ASP98B, GLN109A, GLN111A, GLN39A, GLN39B, GLU126A, GLU126B, GLU214A, GLU214B, GLU250A, GLY156B, GLY162B, GLY212A, GLY212B, GLY215A, GLY215B, GLY218B, GLY99B, HIS107B, ILE160A, ILE160B, ILE252A, ILE256A, LEU127B, LEU246A, LEU246B, LEU263A, LEU38A, LEU38B, LYS130B, LYS248B, LYS33A, LYS75A, LYS75B, PHE104B, PHE217A, PHE217B, PHE247A, PHE247B, PHE34A, PHE35A, PRO240A, PRO240B, PRO265A, SER103B, SER115A, SER120A, SER120B, SER259A, SER36A, SER69B, SER72A, SER72B, THR121A, THR121B, THR239A, THR239B, THR243A, THR243B, TRP123A, TRP123B, TRP159B, TRP213A, TRP213B, TRP97A, TRP97B, TYR125B, TYR158B, VAL100B, VAL122A, VAL122B, VAL124A
• B-C: ALA201B, ALA201C, ALA209B, ALA209C, ARG114B, ARG114C, ARG118B, ARG118C, ARG176B, ARG176C, ARG180B, ARG180C, ARG191B, ARG191C, ARG203B, ARG203C, ARG208B, ARG208C, ARG249B, ARG249C, ARG254B, ARG254C, ARG89B, ARG89C, ASN119B, ASN119C, ASN181B, ASN181C, ASP110B, ASP112B, ASP112C, ASP195B, ASP195C, ASP90B, ASP90C, GLN109B, GLN109C, GLN111B, GLN182B, GLN182C, GLN190B, GLN190C, GLU188B, GLU188C, GLU200B, GLU200C, GLU225B, GLU225C, GLU250B, GLU250C, GLU91B, GLU91C, GLY202B, GLY202C, GLY229B, GLY229C, HIS189B, HIS189C, ILE198B, ILE198C, ILE206B, ILE206C, LEU113B, LEU113C, LEU178B, LEU178C, LEU192B, LEU192C, LEU196B, LEU196C, LEU207B, LEU207C, LEU83B, LEU83C, LYS177B, LYS177C, LYS186B, LYS186C, LYS194B, LYS194C, MET197B, MET197C, PHE232B, PHE232C, PHE247B, PHE247C, PHE92B, PHE92C, PRO227B, PRO227C, PRO230B, PRO230C, SER115B, SER115C, SER204B, SER204C, THR199B, THR199C, THR211B, THR211C, THR228B, THR228C, TRP205B, TRP205C, TRP220B, TRP220C, TRP223C, TRP226B, TRP226C, TYR179B, TYR179C, VAL187B, VAL187C, VAL193B, VAL193C