3E2K

crystal structure of the kpc-2 beta-lactamase/beta-lactamase inhibitor protein (blip)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 132
  • Norm. En. per Res.: -2.8612
• 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	-4.8727	0.0	-100.027	-104.8997	69	3	1	4282	0	9	8
A-D	-54.1282	-1.4586	-322.087	-377.6739	132	13	1	12620	3	34	27
B-C	-65.4895	21.6733	-311.984	-355.8003	127	13	1	11891	2	32	25

Interface residues

• A-B: ALA198A, ALA198B, ALA257A, ALA257B, ALA30A, ALA48A, ALA55A, ALA55B, ALA62A, ARG184A, ARG184B, ARG204A, ARG204B, ARG256B, ASP157A, ASP50A, ASP50B, GLN191A, GLN191B, GLU188A, GLU188B, GLU63A, GLY156A, GLY156B, GLY196A, GLY196B, GLY255B, GLY289A, GLY52A, GLY52B, GLY54A, GLY54B, ILE155A, ILE155B, ILE259B, LEU190A, LEU193A, LEU195A, LEU195B, LEU290A, LYS192A, LYS192B, MET49A, MET49B, PRO252B, PRO258A, PRO258B, SER189A, SER189B, SER197A, SER197B, SER53A, SER53B, SER59A, THR158A, THR194A, THR194B, THR51A, THR51B, THR56A, THR56B, TRP251B, TYR47A, TYR47B, TYR60A, VAL249B, VAL260A, VAL260B, VAL57A
• A-D: ALA101A, ALA124A, ALA125A, ALA126A, ALA133A, ALA147D, ALA244A, ALA46D, ALA47D, ALA52D, ALA54D, ARG144D, ARG160D, ARG220A, ARG43D, ASN100A, ASN132A, ASN136A, ASN170A, ASN214A, ASN218A, ASN245A, ASP131A, ASP135D, ASP163D, ASP246A, ASP271A, ASP38D, ASP49D, CYS131D, CYS238A, CYS69A, GLN128A, GLN157D, GLN161D, GLN72D, GLU110A, GLU114D, GLU121A, GLU166A, GLU168A, GLU276A, GLU31D, GLU73D, GLY145D, GLY158D, GLY217A, GLY236A, GLY239A, GLY33D, GLY34D, GLY37D, GLY44D, GLY48D, GLY57D, GLY98A, HIS148D, HIS219A, HIS274A, HIS41D, HIS45D, ILE108A, ILE40D, LEU102A, LEU113A, LEU127D, LEU129D, LEU137A, LEU149D, LEU167A, LEU75D, LYS111A, LYS159D, LYS234A, LYS270A, LYS273A, LYS70D, LYS73A, LYS74D, LYS99A, MET117A, PHE132D, PHE151D, PHE36D, PHE56D, PHE58D, PRO104A, PRO107A, PRO117D, SER106A, SER109A, SER113D, SER128D, SER130A, SER130D, SER139D, SER146D, SER171A, SER35D, SER39D, SER69D, SER70A, SER71A, SER71D, THR114A, THR115A, THR126D, THR152D, THR215A, THR216A, THR235A, THR237A, THR32D, THR55D, TRP105A, TRP112D, TRP150D, TRP162D, TRP165A, TRP210A, TYR112A, TYR115D, TYR129A, TYR137D, TYR241A, TYR50D, TYR51D, TYR53D, VAL103A, VAL125D, VAL127A, VAL240A
• B-C: ALA101B, ALA124B, ALA125B, ALA126B, ALA133B, ALA147C, ALA244B, ALA46C, ALA47C, ALA52C, ALA54C, ARG144C, ARG160C, ARG220B, ARG43C, ASN100B, ASN132B, ASN136B, ASN170B, ASN214B, ASN218B, ASN245B, ASP131B, ASP163C, ASP271B, ASP38C, ASP49C, CYS131C, CYS238B, CYS69B, GLN128B, GLN157C, GLN161C, GLN72C, GLU110B, GLU114C, GLU121B, GLU166B, GLU168B, GLU276B, GLU31C, GLU73C, GLY145C, GLY158C, GLY213B, GLY217B, GLY236B, GLY239B, GLY33C, GLY34C, GLY37C, GLY44C, GLY48C, GLY57C, GLY98B, HIS148C, HIS219B, HIS274B, HIS41C, HIS45C, ILE108B, ILE40C, LEU102B, LEU113B, LEU127C, LEU129C, LEU137B, LEU149C, LEU167B, LEU75C, LYS111B, LYS159C, LYS234B, LYS270B, LYS273B, LYS73B, LYS74C, LYS99B, MET117B, PHE132C, PHE151C, PHE36C, PHE56C, PHE58C, PHE88C, PRO104B, PRO107B, PRO117C, SER106B, SER109B, SER113C, SER128C, SER130B, SER130C, SER138C, SER146C, SER171B, SER35C, SER39C, SER69C, SER70B, SER71B, SER71C, THR114B, THR126C, THR152C, THR215B, THR216B, THR235B, THR237B, THR32C, THR55C, TRP105B, TRP112C, TRP150C, TRP162C, TRP165B, TYR112B, TYR115C, TYR129B, TYR50C, TYR51C, TYR53C, VAL103B, VAL125C, VAL127B, VAL240B