2BG8

bacillus cereus metallo-beta-lactamase (bcii) arg (121) cys mutant. solved at ph4.5 using 20 micromolar znso4 in the buffer. 1mm dtt and 1mm tcep-hcl were used as reducing agents.

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 56
  • Norm. En. per Res.: -2.9873
• 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	-56.6829	46.4651	-157.069	-167.2868	56	10	10	5782	0	26	19

Interface residues

• A-B: ALA228A, ALA228B, ALA235A, ALA235B, ALA237A, ALA237B, ASN149A, ASN233A, ASN233B, ASN240A, ASN240B, ASP230A, ASP230B, ASP236A, ASP236B, ASP288A, ASP288B, GLU241A, GLU241B, GLU64A, GLU64B, GLY195A, GLY195B, GLY232A, GLY232B, HIS118A, HIS118B, HIS285A, HIS285B, LEU231A, LEU231B, LEU287A, LEU287B, LEU289A, LEU289B, LEU290A, LEU290B, LYS224A, LYS224B, LYS229A, LYS229B, LYS291A, LYS291B, SER227A, SER227B, SER243B, THR286A, THR286B, TRP242A, TRP242B, TYR238A, TYR238B, VAL234A, VAL234B, VAL239A, VAL239B