1Y1O

x-ray crystal structure of penicillin-binding protein- related factor a from bacillus stearothermophilus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 131
  • Norm. En. per Res.: -3.3554
• 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	-74.969	24.9595	-379.161	-429.1705	129	8	22	15892	0	41	51
A-C	-8.8494	-29.3029	-138.137	-176.2893	63	8	2	5829	3	22	30
A-D	0.0	20.4568	-46.672	-26.2152	32	2	0	2220	0	18	20
B-C	-5.7994	22.8985	-49.1398	-32.0408	33	1	0	2245	0	19	20
C-D	-80.0193	27.415	-386.957	-439.5614	131	12	22	16044	0	41	50

Interface residues

• A-B: ALA127A, ALA127B, ALA50A, ALA50B, ALA71A, ALA71B, ALA72A, ALA72B, ALA77A, ALA77B, ALA82A, ALA82B, ARG120A, ARG120B, ARG45A, ARG45B, ARG47A, ARG47B, ARG63A, ARG63B, ARG80A, ARG80B, ARG92A, ARG92B, ASN38A, ASN88A, ASN88B, ASP65A, ASP65B, ASP86A, ASP86B, ASP97A, ASP97B, CYS132A, CYS132B, GLN124A, GLN124B, GLN60A, GLN60B, GLU123A, GLU123B, GLU34A, GLU46A, GLU46B, GLU76A, GLU76B, GLY129A, GLY129B, GLY130A, GLY130B, GLY48A, GLY48B, GLY89A, GLY89B, GLY93A, GLY93B, HIS117A, HIS121A, HIS121B, HIS128A, HIS128B, HIS53A, HIS53B, ILE131A, ILE131B, ILE49A, ILE49B, ILE52A, ILE52B, ILE61A, ILE61B, ILE74A, ILE74B, ILE96A, ILE96B, LYS54A, LYS54B, LYS55A, LYS55B, LYS94A, LYS94B, PHE79A, PHE79B, PRO56A, PRO56B, PRO58A, PRO58B, PRO67A, PRO67B, SER70A, SER70B, SER83A, SER83B, THR57A, THR57B, THR75A, THR75B, THR84A, THR84B, THR85A, THR85B, TYR44A, TYR44B, TYR66A, TYR66B, TYR78A, TYR78B, TYR87A, TYR87B, TYR91A, TYR91B, TYR95A, TYR95B, VAL125A, VAL125B, VAL126A, VAL126B, VAL51A, VAL51B, VAL59A, VAL59B, VAL62A, VAL62B, VAL64A, VAL64B, VAL73A, VAL73B, VAL90A, VAL90B
• A-C: ALA116A, ALA116C, ALA127A, ALA127C, ALA149A, ALA149C, ALA154A, ALA154C, ALA161A, ALA161C, ARG120A, ARG120C, ARG174A, ARG174C, ASN157A, ASN157C, ASP148A, ASP148C, GLN124A, GLN124C, GLN159A, GLN159C, GLN81A, GLN81C, GLU123A, GLU123C, GLU160A, GLU160C, GLU171A, GLU171C, GLY129A, GLY129C, GLY162A, HIS117A, HIS117C, HIS121A, HIS121C, HIS128A, HIS128C, HIS151A, HIS151C, HIS175A, HIS175C, ILE119A, ILE119C, ILE153A, ILE153C, LEU147A, LEU147C, LEU152A, LEU152C, LYS158A, LYS158C, SER150A, SER150C, TRP155A, TRP155C, TRP156A, TRP156C, VAL125A, VAL125C, VAL126A, VAL126C
• A-D: ALA108A, ALA154A, ALA50D, ARG164A, ARG174A, ARG45D, ARG47D, ARG92D, ASP194D, GLN170A, GLU171A, GLU46D, GLY162A, GLY163A, GLY48D, HIS151A, HIS175A, ILE167A, ILE172A, ILE190D, ILE49D, LYS158A, LYS169A, PRO168A, PRO185D, SER166A, THR107A, TRP155A, TYR43D, TYR44D, TYR91D, VAL51D
• B-C: ALA108C, ALA154C, ALA50B, ARG164C, ARG174C, ARG45B, ARG47B, ARG92B, ASP194B, GLN170C, GLN184B, GLU171C, GLU42B, GLU46B, GLY163C, GLY48B, HIS151C, HIS175C, ILE167C, ILE172C, ILE190B, ILE49B, LYS158C, LYS169C, PRO168C, PRO185B, SER166C, THR107C, TRP155C, TYR43B, TYR44B, TYR91B, VAL51B
• C-D: ALA127C, ALA127D, ALA50C, ALA50D, ALA71C, ALA71D, ALA72C, ALA72D, ALA77C, ALA77D, ALA82C, ALA82D, ARG120C, ARG120D, ARG45C, ARG45D, ARG47C, ARG47D, ARG63C, ARG63D, ARG80C, ARG80D, ARG92C, ARG92D, ASN38C, ASN41C, ASN88C, ASN88D, ASP65C, ASP65D, ASP86C, ASP86D, ASP97C, ASP97D, CYS132C, CYS132D, GLN124C, GLN124D, GLN60C, GLN60D, GLU123C, GLU123D, GLU34C, GLU46C, GLU46D, GLU76C, GLU76D, GLY129C, GLY129D, GLY130C, GLY130D, GLY48C, GLY48D, GLY89C, GLY89D, GLY93C, GLY93D, HIS117D, HIS121C, HIS121D, HIS128C, HIS128D, HIS53C, HIS53D, ILE131C, ILE131D, ILE49C, ILE49D, ILE52C, ILE52D, ILE61C, ILE61D, ILE74C, ILE74D, ILE96C, ILE96D, LYS54C, LYS54D, LYS55C, LYS55D, LYS94C, LYS94D, PHE198D, PHE79C, PHE79D, PRO56C, PRO56D, PRO58C, PRO58D, PRO67C, PRO67D, SER70C, SER70D, SER83C, SER83D, THR57C, THR57D, THR75C, THR75D, THR84C, THR84D, THR85C, THR85D, TYR44C, TYR44D, TYR66C, TYR66D, TYR78C, TYR78D, TYR87C, TYR87D, TYR91C, TYR91D, TYR95C, TYR95D, VAL125C, VAL125D, VAL126C, VAL126D, VAL51C, VAL51D, VAL59C, VAL59D, VAL62C, VAL62D, VAL64C, VAL64D, VAL73C, VAL73D, VAL90C, VAL90D