3UDX

crystal structure of acinetobacter baumannii pbp1a in complex with imipenem

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 219
  • Norm. En. per Res.: -3.3487
• 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	-50.1014	-65.736	-617.531	-733.3684	219	28	23	25003	6	52	59

Interface residues

• A-B: ALA154A, ALA181A, ALA181B, ALA186A, ALA186B, ALA261A, ALA261B, ALA425A, ALA425B, ALA561A, ALA569A, ALA569B, ALA630B, ALA65B, ALA66A, ALA66B, ARG202A, ARG202B, ARG209A, ARG209B, ARG250A, ARG250B, ARG520B, ARG549A, ARG549B, ARG557A, ARG557B, ARG628A, ARG628B, ASN134A, ASN134B, ASN146B, ASP139A, ASP139B, ASP263A, ASP263B, ASP510B, ASP516A, ASP516B, ASP560A, ASP560B, ASP68A, ASP68B, GLN133A, GLN212A, GLN212B, GLN260A, GLN260B, GLN427A, GLN427B, GLN514A, GLN514B, GLN517A, GLN517B, GLN535A, GLN535B, GLN551A, GLN551B, GLN556A, GLN556B, GLN629B, GLU138A, GLU138B, GLU252A, GLU252B, GLU259A, GLU259B, GLU515A, GLU515B, GLU559A, GLU559B, GLU568A, GLU568B, GLU572A, GLU572B, GLU67A, GLU67B, GLY156A, GLY156B, GLY208A, GLY258A, GLY258B, GLY265A, GLY265B, GLY406A, GLY406B, GLY512A, GLY512B, HIS256A, HIS256B, HIS553A, HIS553B, ILE140A, ILE140B, ILE148A, ILE148B, ILE262A, ILE262B, ILE399A, ILE399B, ILE401A, ILE401B, ILE408A, ILE408B, ILE411A, ILE411B, ILE534A, ILE534B, ILE555A, ILE555B, ILE558A, ILE558B, ILE566A, ILE566B, LEU135A, LEU135B, LEU141A, LEU141B, LEU143A, LEU143B, LEU150A, LEU150B, LEU183A, LEU183B, LEU211A, LEU213A, LEU213B, LEU253A, LEU253B, LEU29A, LEU29B, LEU426A, LEU426B, LEU513B, LEU532A, LEU532B, LEU64A, LEU64B, LYS137A, LYS137B, LYS147A, LYS147B, LYS185A, LYS185B, LYS255A, LYS255B, LYS45A, LYS45B, LYS564B, LYS570A, LYS570B, MET248A, MET248B, MET509B, PHE149A, PHE149B, PHE257A, PHE257B, PHE554A, PHE554B, PHE63A, PHE63B, PHE71A, PHE71B, PHE72A, PHE72B, PRO184A, PRO184B, PRO187A, PRO187B, PRO552A, PRO552B, PRO571A, PRO571B, SER136A, SER136B, SER142A, SER142B, SER251A, SER251B, SER264A, SER264B, SER407A, SER407B, SER47B, SER69A, SER69B, SER70A, SER70B, THR270B, THR271A, THR271B, THR538A, THR538B, TRP205A, TRP205B, TRP429A, TRP429B, TYR144A, TYR144B, TYR155A, TYR155B, TYR190A, TYR266A, TYR266B, TYR562A, TYR567A, TYR567B, VAL145A, VAL145B, VAL249A, VAL249B, VAL254A, VAL254B, VAL268A, VAL268B, VAL550B, VAL565A, VAL565B