3C7U

structural insight into the kinetics and cp of interactions between tem-1-lactamase and blip

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 126
  • Norm. En. per Res.: -2.9713
• 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	-53.4986	-6.9786	-313.904	-374.3812	126	14	2	12061	2	39	31
B-D	-4.1942	0.0	-21.405	-25.5992	21	0	1	1116	0	4	2
C-D	-62.9949	14.3422	-301.492	-350.1447	129	19	2	11796	2	44	36

Interface residues

• A-B: ALA125A, ALA150B, ALA172A, ALA217A, ALA237A, ALA46B, ALA47B, ALA52B, ALA54B, ARG144B, ARG160B, ARG240A, ARG243A, ARG273A, ARG43B, ASN100A, ASN132A, ASN136A, ASN170A, ASN274A, ASP101A, ASP131A, ASP163B, ASP271A, ASP38B, ASP49B, GLN157B, GLN161B, GLN72B, GLN99A, GLU104A, GLU110A, GLU114B, GLU121A, GLU166A, GLU168A, GLU171A, GLU239A, GLU31B, GLU73B, GLY136B, GLY141B, GLY145B, GLY158B, GLY218A, GLY236A, GLY238A, GLY241A, GLY33B, GLY34B, GLY37B, GLY48B, GLY57B, HIS112A, HIS148B, HIS41B, HIS45B, ILE173A, ILE40B, LEU102A, LEU113A, LEU127B, LEU129B, LEU149B, LEU169A, LYS111A, LYS159B, LYS215A, LYS234A, LYS70B, LYS73A, LYS74B, MET117A, MET129A, MET270A, MET69A, PHE132B, PHE142B, PHE151B, PHE36B, PHE56B, PHE58B, PHE72A, PRO107A, PRO117B, PRO167A, PRO219A, SER106A, SER113B, SER124A, SER128B, SER130A, SER130B, SER138B, SER139B, SER146B, SER235A, SER242A, SER35B, SER39B, SER69B, SER70A, SER71B, SER98A, THR109A, THR114A, THR126B, THR128A, THR133A, THR140B, THR152B, THR55B, THR71A, TRP112B, TRP162B, TRP165A, TYR105A, TYR115B, TYR137B, TYR143B, TYR50B, TYR51B, TYR53B, VAL103A, VAL108A, VAL216A
• B-D: ALA1B, ALA27B, ASN29B, ASP23B, GLN11D, GLN13D, GLN20D, GLU28B, GLY15D, GLY26B, GLY2B, ILE12D, ILE24D, LYS66D, LYS8B, MET16D, PHE14D, THR17D, TYR119D, VAL3B, VAL67D
• C-D: ALA125C, ALA150D, ALA172C, ALA217C, ALA237C, ALA46D, ALA47D, ALA52D, ARG144D, ARG160D, ARG164C, ARG240C, ARG243C, ARG273C, ARG43D, ASN100C, ASN132C, ASN136C, ASN170C, ASN274C, ASP101C, ASP131C, ASP163D, ASP271C, ASP38D, ASP49D, GLN157D, GLN161D, GLN72D, GLN99C, GLU104C, GLU110C, GLU114D, GLU121C, GLU166C, GLU168C, GLU171C, GLU239C, GLU31D, GLU73D, GLY136D, GLY141D, GLY145D, GLY158D, GLY218C, GLY236C, GLY238C, GLY241C, GLY33D, GLY34D, GLY37D, GLY48D, GLY57D, HIS112C, HIS148D, HIS41D, HIS45D, ILE173C, ILE40D, LEU102C, LEU113C, LEU127D, LEU129D, LEU149D, LEU169C, LYS111C, LYS159D, LYS215C, LYS234C, LYS70D, LYS73C, LYS74D, MET117C, MET129C, MET270C, MET69C, PHE132D, PHE142D, PHE151D, PHE36D, PHE56D, PHE58D, PHE72C, PHE88D, PRO107C, PRO117D, PRO167C, PRO174C, PRO219C, SER106C, SER113D, SER124C, SER128D, SER130C, SER130D, SER138D, SER139D, SER146D, SER235C, SER242C, SER35D, SER39D, SER69D, SER70C, SER71D, SER98C, THR109C, THR114C, THR126D, THR128C, THR133C, THR140D, THR152D, THR32D, THR55D, THR71C, TRP112D, TRP162D, TRP165C, TYR105C, TYR115D, TYR137D, TYR143D, TYR50D, TYR51D, TYR53D, VAL103C, VAL108C, VAL216C