2JBF

structure of pbp-a, l158e mutant. acyl-enzyme complex with penicillin-g.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 47
  • Norm. En. per Res.: -2.0312
• 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-B	-3.9433	1.1898	-30.6754	-33.4289	40	1	0	1339	0	4	11
A-C	-9.3713	14.1249	-67.2193	-62.4657	45	4	4	2791	0	0	8
C-D	0.0	-28.8191	-66.6482	-95.4673	47	3	1	3146	2	10	7

Interface residues

• A-B: ALA138A, ALA74A, ALA97B, ARG261B, ARG79A, ASN141A, ASN203B, ASN252B, ASP222B, ASP76A, GLN101B, GLN103B, GLN142A, GLN143A, GLN145A, GLU139A, GLU146A, GLU77A, GLU96B, GLY135A, GLY148A, GLY78A, GLY98B, ILE121B, ILE184A, LYS104B, LYS73A, PRO187A, PRO254B, PRO95B, SER186A, THR120B, THR200B, THR202B, THR204B, THR99B, TRP147A, TYR102B, VAL201B, VAL75A
• A-C: ALA97A, ALA97C, ARG199A, ARG199C, ASN124A, ASN124C, ASN203A, ASN252A, ASP123A, ASP123C, GLN101A, GLN101C, GLN103A, GLN103C, GLU96A, GLU96C, GLY98A, GLY98C, ILE121A, ILE121C, LEU100A, LEU100C, LEU117A, LEU117C, LYS104A, LYS104C, PRO105A, PRO105C, PRO95A, PRO95C, SER122A, SER122C, THR120A, THR120C, THR200A, THR202A, THR202C, THR99A, THR99C, TYR102A, TYR102C, TYR251A, TYR251C, VAL201A, VAL201C
• C-D: ALA94D, ALA97D, ARG249D, ARG255C, ARG255D, ARG261C, ARG30C, ASN124D, ASN19C, ASN252D, ASN33C, ASN33D, ASP222D, ASP253C, ASP253D, GLN101D, GLN22C, GLN23C, GLN25C, GLN262C, GLN269C, GLN26C, GLN31C, GLU258C, GLU96D, GLY224D, GLY256C, GLY98D, ILE223D, ILE225D, ILE24C, LEU20C, LEU259C, LEU27C, LYS162D, LYS273C, MET161D, MET266C, PRO159D, PRO250D, PRO254C, PRO254D, PRO32C, PRO95D, SER29C, TYR251D, VAL28C