2BC5

crystal structure of e. coli cytochrome b562 with engineered c-type heme linkages

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 82
  • Norm. En. per Res.: -2.3373
• 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	-4.5564	70.8334	-217.056	-150.779	80	8	0	8687	4	52	44
A-C	0.0	46.888	-81.1501	-34.2621	41	9	3	3580	1	29	26
B-C	0.0	4.4822	-87.7997	-83.3175	38	7	1	3725	0	8	19
B-D	0.0	32.9763	-78.7565	-45.7802	42	9	3	3586	2	29	27
C-D	-10.3076	40.4943	-221.845	-191.6584	82	6	0	8620	4	51	45

Interface residues

• A-B: ALA75A, ALA75B, ALA79A, ALA79B, ARG34A, ARG34B, ARG62A, ARG62B, ASN80A, ASN80B, ASP54A, ASP54B, ASP60A, ASP60B, ASP66A, ASP66B, ASP73A, ASP73B, ASP74A, ASP74B, GLN41A, GLN41B, GLN71A, GLN71B, GLU57A, GLU57B, GLU81A, GLU81B, GLY64A, GLY64B, GLY70A, GLY70B, GLY82A, GLY82B, HIS63A, HIS63B, ILE67A, ILE67B, ILE72A, ILE72B, LEU38A, LEU38B, LEU68A, LEU68B, LEU76A, LEU76B, LEU78A, LEU78B, LYS104A, LYS104B, LYS27A, LYS27B, LYS42A, LYS42B, LYS77A, LYS77B, LYS83A, LYS83B, MET58A, MET58B, PHE61A, PHE61B, PHE65A, PHE65B, PRO53A, PRO53B, PRO56A, PRO56B, SER52A, SER52B, SER55A, SER55B, THR31A, THR31B, TRP59A, TRP59B, TYR105A, TYR105B, VAL69A, VAL69B
• A-C: ALA75A, ALA75C, ALA87A, ALA87C, ALA89A, ALA89C, ALA90A, ALA90C, ALA91A, ALA91C, ASP74A, ASP74C, GLN71A, GLN88A, GLN88C, GLN93A, GLN93C, GLU18C, GLU81A, GLU86A, GLU86C, GLU92A, GLU92C, GLY70A, ILE17C, LEU78A, LEU78C, LEU94A, LYS19C, LYS77A, LYS77C, LYS83A, LYS83C, LYS85A, LYS85C, LYS95A, LYS95C, THR96A, THR96C, VAL84A, VAL84C
• B-C: ALA100B, ALA100C, ARG106B, ARG106C, ASN99B, ASN99C, ASP60B, ASP60C, CYS101B, CYS101C, CYS98B, CYS98C, GLN103B, GLN103C, GLN71B, GLN93B, GLN93C, GLU92B, GLU92C, GLY64B, GLY64C, HIS102B, HIS102C, HIS63B, HIS63C, ILE67B, ILE67C, LEU94C, LYS104B, LYS104C, LYS95B, LYS95C, THR96B, THR96C, THR97B, THR97C, TYR105B, TYR105C
• B-D: ALA75B, ALA75D, ALA87B, ALA87D, ALA89B, ALA89D, ALA90B, ALA90D, ALA91B, ALA91D, ASP74B, ASP74D, GLN71D, GLN88B, GLN88D, GLN93B, GLN93D, GLU18B, GLU81B, GLU81D, GLU86B, GLU86D, GLU92B, GLU92D, GLY70D, ILE17B, LEU78B, LEU78D, LEU94D, LYS19B, LYS77B, LYS77D, LYS83B, LYS83D, LYS85B, LYS85D, LYS95B, LYS95D, THR96B, THR96D, VAL84B, VAL84D
• C-D: ALA75C, ALA75D, ALA79C, ALA79D, ARG34C, ARG34D, ARG62C, ARG62D, ASN80C, ASN80D, ASP54C, ASP54D, ASP60C, ASP60D, ASP66C, ASP66D, ASP73C, ASP73D, ASP74C, ASP74D, GLN41C, GLN41D, GLN71C, GLN71D, GLU57C, GLU57D, GLU81C, GLU81D, GLY64C, GLY64D, GLY70C, GLY70D, GLY82C, GLY82D, HIS63C, HIS63D, ILE67C, ILE67D, ILE72C, ILE72D, LEU30C, LEU30D, LEU38C, LEU38D, LEU68C, LEU68D, LEU76C, LEU76D, LEU78C, LEU78D, LYS104C, LYS104D, LYS27C, LYS27D, LYS42C, LYS42D, LYS77C, LYS77D, LYS83C, LYS83D, MET58C, MET58D, PHE61C, PHE61D, PHE65C, PHE65D, PRO53C, PRO53D, PRO56C, PRO56D, SER52C, SER52D, SER55C, SER55D, THR31C, THR31D, TRP59C, TRP59D, TYR105C, TYR105D, VAL69C, VAL69D