3KNR

bacillus cereus metallo-beta-lactamase cys221asp mutant, 1 mm zn(ii)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 53
  • Norm. En. per Res.: -3.7715
• Hub Node: A(3)

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	-74.7575	44.8222	-163.25	-193.1852	52	8	10	5878	0	25	20
A-C	0.0	0.0	-0.2471	-0.2471	2	0	0	33	0	0	0
A-D	-42.2849	-35.7158	-97.3117	-175.3124	70	15	0	4860	4	18	19
B-C	-56.9375	-35.3456	-101.377	-193.6601	66	8	0	4552	4	18	19
B-D	0.0	0.0	-1.163	-1.163	20	0	0	259	0	10	11
C-D	-77.2002	42.2947	-164.983	-199.8885	53	9	10	5934	0	25	20

Interface residues

• A-B: ALA175A, ALA175B, ALA182A, ALA182B, ALA184A, ALA184B, ASN180A, ASN180B, ASN187A, ASN187B, ASP177A, ASP177B, ASP183A, ASP183B, ASP224A, ASP224B, GLU188A, GLU188B, GLY148A, GLY148B, GLY179A, GLY179B, HIS221A, HIS221B, LEU178A, LEU178B, LEU223A, LEU223B, LEU225A, LEU225B, LEU226A, LEU226B, LYS171A, LYS171B, LYS176A, LYS176B, LYS227A, LYS227B, SER174A, SER174B, SER190A, SER190B, THR222A, THR222B, TRP189A, TRP189B, TYR185A, TYR185B, VAL181A, VAL181B, VAL186A, VAL186B
• A-C: ASN35A, ASN35C
• A-D: ALA175A, ALA175D, ALA205D, ALA38A, ASN22D, ASN35A, ASN42D, ASP177A, ASP215A, GLN20A, GLN20D, GLU212A, GLU212D, GLU30D, GLU37A, GLU66D, GLU69D, GLY14A, GLY211A, GLY211D, GLY214A, GLY217A, GLY32A, GLY36A, HIS210A, HIS210D, HIS221A, ILE16A, ILE16D, ILE18A, ILE18D, LEU218A, LEU21D, LEU31A, LEU31D, LEU63D, LEU67D, LYS176A, LYS62D, LYS73D, LYS74D, MET70A, MET70D, PHE34A, PRO208D, PRO40A, PRO40D, SER172A, SER172D, SER174A, SER174D, SER17A, SER17D, SER19A, SER19D, SER33A, THR15A, THR15D, THR173A, THR173D, THR29A, THR29D, TRP26D, VAL207D, VAL213A, VAL213D, VAL25D, VAL27D, VAL39A, VAL71D
• B-C: ALA175B, ALA175C, ALA205C, ALA38C, ASN35C, ASN42B, ASP177C, ASP215C, GLN20B, GLN20C, GLU212B, GLU212C, GLU30B, GLU37C, GLU66B, GLU69B, GLY211B, GLY211C, GLY214C, GLY217C, GLY32C, GLY36C, HIS210B, HIS210C, HIS221C, ILE16B, ILE16C, ILE18B, ILE18C, LEU218C, LEU21B, LEU31B, LEU31C, LEU63B, LEU67B, LYS176C, LYS62B, LYS73B, LYS74B, MET70B, PHE34C, PRO208B, PRO40B, PRO40C, SER172B, SER172C, SER174B, SER174C, SER17B, SER17C, SER19B, SER19C, SER33C, THR15B, THR15C, THR173B, THR173C, THR29B, THR29C, TRP26B, VAL206C, VAL213B, VAL213C, VAL27B, VAL39C, VAL71B
• B-D: ALA182B, ALA182D, ALA89B, ALA89D, ASN118B, ASN118D, ASN180B, ASN180D, ASP60B, ASP60D, GLY119B, GLY119D, HIS88D, LYS62B, LYS62D, LYS96B, THR15B, THR15D, TYR120B, TYR120D
• C-D: ALA175C, ALA175D, ALA182C, ALA182D, ALA184C, ALA184D, ASN180C, ASN180D, ASN187C, ASN187D, ASP177C, ASP177D, ASP183C, ASP183D, ASP224C, ASP224D, GLU188C, GLU188D, GLY148C, GLY148D, GLY179C, GLY179D, HIS221C, HIS221D, LEU178C, LEU178D, LEU223C, LEU223D, LEU225C, LEU225D, LEU226C, LEU226D, LYS171C, LYS171D, LYS176C, LYS176D, LYS227C, LYS227D, SER174C, SER174D, SER190C, SER190D, THR191C, THR222C, THR222D, TRP189C, TRP189D, TYR185C, TYR185D, VAL181C, VAL181D, VAL186C, VAL186D