3GMW

crystal structure of beta-lactamse inhibitory protein-i (blip-i) in complex with tem-1 beta-lactamase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 126
  • Norm. En. per Res.: -4.2782
• Hub Node: A(2)

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	-90.4185	-51.1218	-323.962	-465.5024	126	29	7	12849	1	33	32
A-C	-74.4938	17.0928	189.373	131.972	84	139	7	10733	4	55	55
C-D	-95.9257	-91.1356	-351.991	-539.0523	126	26	8	13181	5	34	30

Interface residues

• A-B: ALA125A, ALA126A, ALA135A, ALA217A, ALA237A, ALA51B, ARG120A, ARG151B, ARG154B, ARG222A, ARG240A, ARG243A, ARG68B, ASN100A, ASN132A, ASN136A, ASN170A, ASN274A, ASN69B, ASP101A, ASP115A, ASP131A, ASP214A, ASP271A, ASP32B, ASP39B, ASP49B, CYS123A, CYS31B, CYS43B, GLN109B, GLN99A, GLU104A, GLU110A, GLU121A, GLU123B, GLU166A, GLU168A, GLU171A, GLU239A, GLU46B, GLU70B, GLY110B, GLY133B, GLY218A, GLY236A, GLY238A, GLY241A, GLY244A, GLY34B, GLY35B, GLY38B, GLY48B, GLY54B, GLY55B, HIS112A, HIS142B, ILE245A, ILE37B, ILE41B, LEU102A, LEU113A, LEU122A, LEU134B, LEU169A, LEU220A, LEU42B, LYS111A, LYS125B, LYS215A, LYS234A, LYS73A, MET117A, MET129A, MET270A, MET68A, MET69A, PHE135B, PHE44B, PHE56B, PHE58B, PHE72A, PRO107A, PRO136B, PRO137B, PRO167A, PRO219A, PRO52B, SER106A, SER124A, SER130A, SER138B, SER140B, SER155B, SER223A, SER235A, SER242A, SER40B, SER47B, SER57B, SER66B, SER70A, SER98A, THR109A, THR114A, THR118A, THR128A, THR132B, THR133A, THR33B, THR45B, THR71A, TRP165A, TRP210A, TRP65B, TYR105A, TYR127B, TYR150B, TYR152B, TYR50B, TYR53B, TYR71B, VAL103A, VAL108A, VAL216A, VAL36B
• A-C: ALA36A, ALA36C, ARG257C, ARG61A, ARG61C, ARG65A, ARG65C, ASP35A, ASP35C, ASP38A, ASP38C, ASP50A, ASP50C, CB4.29635-9.21569, CB7.2990420.22533, CB8.5643692.52817, CB9.0157729.65434, GLU177A, GLU177C, GLU28A, GLU28A5, GLU28C, GLU37A, GLU37C, GLU48A, GLU48C, GLU58A, GLU58C, GLU63A, GLU63C, GLU64A, GLU64C, GLY45A, GLY45C, GLY54A, GLY54C, HIS287A, HIS287C, ILE280A, ILE280C, ILE47A, ILE47C, ILE56A, ILE56C, LEU284A, LEU284C, LEU30A, LEU30C, LEU49A, LEU49C, LEU57A, LEU57C, LYS32A, LYS32C, LYS34A, LYS34C, LYS55A, LYS55C, MET182A, MET182C, PHE60A, PHE60C, PRO62A, PRO62C, SER283A, SER283C, SER53A, SER53C, SER59A, SER59C, THR29A, THR29C, TRP288A, TRP288C, TYR46A, TYR46C, VAL159A, VAL159C, VAL184A, VAL184C, VAL31A, VAL31C, VAL33A, VAL33C
• C-D: ALA125C, ALA126C, ALA135C, ALA217C, ALA237C, ALA51D, ARG120C, ARG151D, ARG154D, ARG164C, ARG222C, ARG240C, ARG243C, ARG273C, ARG68D, ASN100C, ASN132C, ASN170C, ASN274C, ASN69D, ASP101C, ASP115C, ASP131C, ASP214C, ASP271C, ASP32D, ASP39D, ASP49D, CYS123C, CYS31D, CYS43D, GLN109D, GLN99C, GLU104C, GLU110C, GLU121C, GLU123D, GLU166C, GLU168C, GLU171C, GLU239C, GLU46D, GLU70D, GLY110D, GLY133D, GLY218C, GLY236C, GLY238C, GLY241C, GLY244C, GLY34D, GLY35D, GLY38D, GLY48D, GLY54D, GLY55D, HIS112C, HIS142D, ILE245C, ILE37D, ILE41D, LEU102C, LEU113C, LEU122C, LEU134D, LEU169C, LEU220C, LEU42D, LYS111C, LYS125D, LYS215C, LYS234C, LYS73C, LYS74D, MET117C, MET129C, MET270C, MET68C, MET69C, PHE135D, PHE44D, PHE56D, PHE58D, PHE72C, PRO107C, PRO136D, PRO137D, PRO167C, PRO219C, PRO52D, SER106C, SER124C, SER130C, SER138D, SER140D, SER155D, SER223C, SER235C, SER242C, SER40D, SER47D, SER57D, SER66D, SER70C, SER98C, THR109C, THR118C, THR128C, THR132D, THR133C, THR33D, THR45D, THR71C, TRP210C, TRP65D, TYR105C, TYR127D, TYR150D, TYR152D, TYR50D, TYR53D, TYR71D, VAL103C, VAL108C, VAL216C, VAL36D