2Y2G

penicillin-binding protein 1b (pbp-1b) in complex with an alkyl boronate (a01)

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 65
  • Norm. En. per Res.: -2.0998
• 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	-4.0013	0.0	-132.483	-136.4843	65	4	0	5714	0	0	4

Interface residues

• A-B: ALA644A, ALA644B, ALA698A, ALA698B, ARG627A, ARG627B, ASN635A, ASN635B, ASN640A, ASN640B, ASN645A, ASN645B, ASN692A, ASN692B, ASN695A, ASN695B, ASN702A, GLN687A, GLN687B, HIS699A, HIS699B, LEU412A, LEU412B, LEU636A, LEU636B, LEU639A, LEU639B, LYS633A, LYS633B, PHE632A, PHE632B, PRO641A, PRO641B, SER625A, SER625B, SER626A, SER626B, SER634A, SER634B, SER638A, SER638B, SER691A, SER691B, SER694A, SER694B, THR630A, THR630B, THR631A, THR631B, THR637A, THR637B, THR642A, THR642B, TYR409A, TYR409B, TYR411A, TYR411B, TYR515A, TYR515B, TYR690A, TYR690B, TYR696A, TYR696B, VAL628A, VAL628B