1WUP

crystal structure of metallo-beta-lactamase imp-1 mutant (d81e)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 71
  • Norm. En. per Res.: -2.4233
• 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-C	-19.1965	-13.2648	-152.592	-185.0534	81	14	4	6924	9	24	22
B-D	-16.7215	3.28	-146.442	-159.8835	86	18	5	6135	4	23	21
C-D	-45.5817	1.214	-127.685	-172.0527	71	12	3	6241	3	21	20

Interface residues

• A-C: ASN167A, ASN167C, ASP202A, ASP202C, ASP6A, ASP6C, GLN212A, GLN212C, GLU10A, GLU10C, GLU199A, GLU199C, GLU211A, GLU211C, GLU23C, GLU24A, GLU24C, GLY164A, GLY164C, GLY166A, GLY166C, GLY201A, GLY201C, GLY27A, GLY27C, GLY29A, GLY29C, HIS197A, HIS197C, HIS34A, HIS34C, LEU165A, LEU165C, LEU168A, LEU192A, LEU192C, LEU205A, LEU205C, LEU208A, LEU208C, LEU4A, LEU4C, LYS161A, LYS161C, LYS207A, LYS215A, LYS215C, LYS8A, LYS8C, PHE22A, PHE22C, PRO162A, PRO162C, PRO195A, PRO195C, PRO32A, PRO32C, PRO5A, PRO5C, SER196C, SER198A, SER198C, SER204A, SER204C, SER3C, THR20A, THR20C, TRP28A, TRP28C, TYR163A, TYR163C, VAL18A, VAL18C, VAL194C, VAL200A, VAL200C, VAL25C, VAL30A, VAL30C, VAL31A, VAL31C
• B-D: ASN167B, ASN167D, ASN26D, ASP202B, ASP202D, ASP6B, ASP6D, GLN212B, GLN212D, GLU10B, GLU10D, GLU199B, GLU199D, GLU211B, GLU211D, GLU23B, GLU23D, GLU24B, GLU24D, GLY164B, GLY164D, GLY166B, GLY166D, GLY201B, GLY201D, GLY27D, GLY29B, GLY29D, HIS197B, HIS197D, HIS34B, HIS34D, LEU12B, LEU165B, LEU165D, LEU168B, LEU168D, LEU192D, LEU205B, LEU205D, LEU208B, LEU208D, LEU4B, LEU4D, LYS161B, LYS161D, LYS207B, LYS215B, LYS215D, LYS8B, LYS8D, PHE22B, PHE22D, PRO162B, PRO162D, PRO195B, PRO195D, PRO32B, PRO32D, PRO5B, PRO5D, SER198B, SER198D, SER204B, SER204D, SER3D, THR209B, THR209D, THR20B, THR20D, TRP28B, TRP28D, TYR163B, TYR163D, VAL18B, VAL18D, VAL194B, VAL194D, VAL200B, VAL200D, VAL214B, VAL25D, VAL30B, VAL30D, VAL31B, VAL31D
• C-D: ALA114C, ALA171C, ALA175C, ALA53D, ARG92D, ASN103C, ASN122C, ASN143C, ASN172C, ASN90D, ASP109C, ASP109D, ASP142C, ASP170C, ASP55D, GLN113C, GLN113D, GLU100C, GLU104C, GLU174C, GLU23D, GLU57D, GLU65D, GLU87D, GLY110D, GLY120C, GLY136C, GLY138C, GLY84D, GLY85D, ILE173C, ILE86D, ILE94D, LEU101C, LEU105C, LEU106C, LEU106D, LEU182C, LEU89D, LYS107C, LYS107D, LYS108C, LYS111D, LYS178C, LYS54D, LYS58D, PHE118C, PHE51D, PHE78C, PRO135C, PRO137C, PRO141C, SER117C, SER119C, SER80D, SER91D, SER93D, SER99C, THR102C, THR115D, THR140C, THR52D, THR56D, THR61D, TRP62D, TRP88D, TYR134C, VAL112D, VAL121C, VAL144C, VAL60D