3M79

a tetrameric zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces crystallized in the presence of cu(ii) and zn(ii)

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 29
  • Norm. En. per Res.: -5.6865
• Hub Node: A(5)

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	0.0	-29.6432	555.121	525.4778	71	4	2	3330	4	40	36
A-C	-9.8225	-73.2618	-81.8237	-164.908	29	0	0	2273	8	16	18
A-D	0.0	69.6552	-161.308	-91.6527	73	9	2	6435	0	28	28
A-E	-18.2216	17.6332	-37.2092	-37.7976	19	6	0	1315	1	14	9
A-H	0.0	0.0	-12.132	-12.132	20	1	1	678	0	9	5
B-C	0.0	53.9768	-113.868	-59.8912	68	6	2	5089	0	27	26
B-D	-16.3055	-65.332	-77.148	-158.7855	29	0	0	2203	7	16	16
B-F	0.0	-5.558	-1.1913	-6.7493	8	0	0	162	0	5	5
B-G	0.0	8.4084	-0.7181	7.6903	9	0	0	104	0	4	6
B-H	0.0	0.0	-1.5734	-1.5734	13	0	0	154	0	7	7
C-D	-2.5967	-23.0793	617.936	592.26	67	4	2	3131	4	39	38
C-H	-5.4535	-3.7177	-19.8956	-29.0669	21	0	0	923	0	7	10
E-F	0.0	-24.2967	526.077	501.7803	67	5	2	3352	5	40	35
E-G	-2.7667	-69.7065	-78.558	-151.0312	29	0	0	2266	10	16	18
E-H	-2.517	55.2502	-141.721	-88.9878	68	8	2	5481	0	27	26
F-G	0.0	52.4614	-106.782	-54.3206	70	8	2	5093	0	28	28
F-H	-18.0343	-65.5832	-70.7957	-154.4131	29	0	0	2027	6	16	17
G-H	0.0	-18.6122	687.325	668.7128	69	7	2	3192	3	40	38

Interface residues

• A-B: ALA100A, ALA100B, ALA75A, ALA75B, ALA87A, ALA89A, ALA89B, ALA90A, ALA90B, ASN99A, ASN99B, ASP60A, ASP60B, ASP74A, ASP74B, CYS101A, CYS101B, CYS96A, CYS96B, CYS98A, CYS98B, GLN103A, GLN71A, GLN71B, GLN93A, GLN93B, GLU57A, GLU57B, GLU81A, GLU81B, GLU86A, GLU86B, GLU92A, GLU92B, GLY64A, GLY64B, GLY70A, GLY70B, HIS59A, HIS59B, HIS63A, HIS63B, HIS77A, HIS77B, ILE67A, ILE67B, LEU68A, LEU68B, LEU78A, LEU78B, LEU94A, LEU94B, LYS104A, LYS104B, LYS83A, LYS83B, LYS85A, LYS85B, LYS95A, LYS95B, PHE61B, PRO56A, PRO56B, SER55A, SER55B, THR97A, THR97B, TRP66A, TRP66B, TYR105A, TYR105B
• A-C: ALA75A, ALA75C, ALA79A, ALA79C, ASN80A, ASN80C, ASP74A, ASP74C, GLN71C, GLU81A, GLU81C, GLU86A, GLU86C, GLY70A, GLY70C, GLY82A, GLY82C, HIS73A, HIS73C, HIS77A, HIS77C, LEU76A, LEU76C, LEU78A, LEU78C, LYS27A, LYS27C, LYS83A, LYS83C
• A-D: ALA24D, ALA34A, ALA34D, ALA35A, ALA35D, ALA36A, ALA36D, ALA37A, ALA37D, ALA38A, ALA38D, ALA40A, ALA40D, ALA75A, ALA75D, ARG62A, ARG62D, ASN80A, ASN80D, ASP28A, ASP28D, ASP39A, ASP39D, ASP54A, ASP54D, ASP60A, ASP60D, ASP74A, ASP74D, GLN71A, GLN71D, GLY70A, GLY70D, HIS59A, HIS59D, HIS63A, HIS63D, HIS73A, HIS73D, HIS77A, HIS77D, ILE67A, ILE67D, ILE69A, ILE69D, ILE72A, ILE72D, LEU30A, LEU30D, LEU68A, LEU68D, LEU76A, LEU76D, LYS27A, LYS27D, LYS32A, LYS32D, MET33A, MET33D, MET58A, PHE65A, PHE65D, PRO53A, PRO53D, PRO56A, SER42A, SER42D, THR31A, THR31D, TRP41A, TRP41D, TRP66A, TRP66D
• A-E: ALA20A, ALA23A, ALA24A, ASN22A, ASP21A, ASP50E, ASP54E, GLN25A, GLU18A, GLU57E, LYS19A, LYS51E, LYS85A, MET58E, PRO53E, PRO56E, SER52E, SER55E, VAL84A
• A-H: ALA23A, ALA23H, ALA24A, ALA24H, ALA79A, ASN22A, ASN22H, ASN80A, ASP21H, ASP28H, GLN25H, GLU81A, GLY82A, HIS77A, LEU78A, LYS27A, LYS27H, LYS83A, LYS85A, VAL84A
• B-C: ALA34B, ALA34C, ALA35B, ALA35C, ALA36B, ALA36C, ALA37B, ALA37C, ALA38B, ALA38C, ALA40B, ALA40C, ALA75C, ARG62B, ARG62C, ASN80B, ASN80C, ASP28B, ASP28C, ASP39B, ASP39C, ASP54B, ASP54C, ASP60B, ASP60C, ASP74B, ASP74C, GLY70B, GLY70C, HIS59B, HIS59C, HIS63B, HIS63C, HIS73B, HIS73C, HIS77B, HIS77C, ILE67B, ILE67C, ILE69B, ILE69C, ILE72B, ILE72C, LEU30B, LEU30C, LEU68C, LEU76B, LEU76C, LYS27B, LYS27C, LYS32B, LYS32C, MET33B, MET33C, MET58C, PHE65B, PHE65C, PRO53B, PRO53C, PRO56C, SER42B, SER42C, THR31B, THR31C, TRP41B, TRP41C, TRP66B, TRP66C
• B-D: ALA75B, ALA75D, ALA79B, ALA79D, ASN80B, ASN80D, ASP74B, ASP74D, GLN71B, GLU81B, GLU81D, GLU86B, GLU86D, GLY70B, GLY70D, GLY82B, GLY82D, HIS73B, HIS73D, HIS77B, HIS77D, LEU76B, LEU76D, LEU78B, LEU78D, LYS27B, LYS27D, LYS83B, LYS83D
• B-F: ALA23F, ALA24F, ASN80F, ASP50B, GLU57B, GLY82F, LYS27F, LYS51B
• B-G: ASP50B, ASP54G, HIS59G, LYS51B, PRO53B, PRO56G, SER52B, SER55B, SER55G
• B-H: ALA23H, ALA79H, ASN80H, ASP54B, GLU57B, GLU81H, GLY82H, LYS27H, LYS83H, LYS85H, PRO56B, SER55B, VAL84H
• C-D: ALA100C, ALA100D, ALA75C, ALA75D, ALA87C, ALA89C, ALA89D, ALA90C, ALA90D, ASN99C, ASN99D, ASP60C, ASP60D, ASP74C, ASP74D, CYS101C, CYS101D, CYS96C, CYS96D, CYS98C, CYS98D, GLN103D, GLN71C, GLN71D, GLN93C, GLN93D, GLU57C, GLU57D, GLU81C, GLU81D, GLU86C, GLU86D, GLU92C, GLU92D, GLY64C, GLY64D, GLY70C, HIS59C, HIS59D, HIS63C, HIS63D, HIS77C, HIS77D, ILE67C, ILE67D, LEU68C, LEU78C, LEU78D, LEU94C, LEU94D, LYS104C, LYS104D, LYS83C, LYS83D, LYS85C, LYS85D, LYS95C, LYS95D, PRO56C, PRO56D, SER55D, THR97C, THR97D, TRP66C, TRP66D, TYR105C, TYR105D
• C-H: ALA20H, ALA23C, ALA23H, ALA24C, ALA79C, ASN22C, ASN22H, ASN80C, ASP21H, GLN25H, GLN88H, GLU81C, GLY82C, HIS77C, LEU78C, LYS19H, LYS27C, LYS83C, LYS85H, VAL84C, VAL84H
• E-F: ALA100E, ALA100F, ALA75E, ALA75F, ALA87E, ALA89E, ALA89F, ALA90E, ALA90F, ASN99E, ASN99F, ASP60E, ASP60F, ASP74E, ASP74F, CYS101E, CYS101F, CYS96E, CYS96F, CYS98E, CYS98F, GLN103E, GLN71E, GLN71F, GLN88E, GLN93E, GLN93F, GLU57E, GLU57F, GLU81E, GLU81F, GLU86E, GLU86F, GLU92E, GLU92F, GLY64F, GLY70E, HIS59E, HIS59F, HIS63E, HIS63F, HIS77E, HIS77F, ILE67E, ILE67F, LEU78E, LEU78F, LEU94E, LEU94F, LYS104E, LYS104F, LYS83E, LYS83F, LYS85E, LYS85F, LYS95E, LYS95F, PHE61F, PRO56E, PRO56F, SER55F, THR97E, THR97F, TRP66E, TRP66F, TYR105E, TYR105F
• E-G: ALA75E, ALA75G, ALA79E, ALA79G, ASN80E, ASN80G, ASP74E, ASP74G, GLN71E, GLU81E, GLU81G, GLU86E, GLU86G, GLY70E, GLY70G, GLY82E, GLY82G, HIS73E, HIS73G, HIS77E, HIS77G, LEU76E, LEU76G, LEU78E, LEU78G, LYS27E, LYS27G, LYS83E, LYS83G
• E-H: ALA1H, ALA34E, ALA34H, ALA35E, ALA35H, ALA36E, ALA36H, ALA37E, ALA37H, ALA38E, ALA38H, ALA40E, ALA40H, ALA79H, ARG62E, ARG62H, ASN6H, ASN80E, ASN80H, ASP28E, ASP28H, ASP39E, ASP39H, ASP54E, ASP54H, ASP60E, ASP60H, ASP74E, ASP74H, GLY70E, GLY70H, HIS59E, HIS59H, HIS63E, HIS63H, HIS73E, HIS73H, HIS77E, HIS77H, ILE67E, ILE67H, ILE69E, ILE69H, ILE72E, ILE72H, LEU30E, LEU30H, LEU76E, LEU76H, LYS27E, LYS27H, LYS32E, LYS32H, MET33E, MET58E, PHE65E, PHE65H, PRO53E, PRO53H, PRO56E, SER42E, SER42H, THR31E, THR31H, TRP41E, TRP41H, TRP66E, TRP66H
• F-G: ALA24F, ALA24G, ALA34F, ALA34G, ALA35F, ALA35G, ALA36F, ALA36G, ALA37F, ALA37G, ALA38F, ALA38G, ALA40F, ALA40G, ARG62F, ARG62G, ASN80F, ASN80G, ASP28F, ASP28G, ASP39F, ASP39G, ASP54F, ASP54G, ASP60F, ASP60G, ASP74F, ASP74G, GLN71G, GLY70F, GLY70G, HIS59F, HIS59G, HIS63F, HIS63G, HIS73F, HIS73G, HIS77F, HIS77G, ILE67F, ILE67G, ILE69F, ILE69G, ILE72F, ILE72G, LEU30F, LEU30G, LEU68G, LEU76F, LEU76G, LYS27F, LYS27G, LYS32F, LYS32G, MET33F, MET33G, MET58F, MET58G, PHE65F, PHE65G, PRO53F, PRO53G, SER42F, SER42G, THR31F, THR31G, TRP41F, TRP41G, TRP66F, TRP66G
• F-H: ALA75F, ALA75H, ALA79F, ALA79H, ASN80F, ASN80H, ASP74F, ASP74H, GLN71H, GLU81F, GLU81H, GLU86F, GLU86H, GLY70F, GLY70H, GLY82F, GLY82H, HIS73F, HIS73H, HIS77F, HIS77H, LEU76F, LEU76H, LEU78F, LEU78H, LYS27F, LYS27H, LYS83F, LYS83H
• G-H: ALA100G, ALA100H, ALA75G, ALA75H, ALA89G, ALA89H, ALA90G, ALA90H, ASN99G, ASN99H, ASP60G, ASP60H, ASP74G, ASP74H, CYS101G, CYS101H, CYS96G, CYS96H, CYS98G, CYS98H, GLN103G, GLN103H, GLN71G, GLN71H, GLN93G, GLN93H, GLU57G, GLU57H, GLU81G, GLU81H, GLU86G, GLU86H, GLU92G, GLU92H, GLY64G, GLY64H, GLY70G, GLY70H, HIS59G, HIS59H, HIS63G, HIS63H, HIS77G, HIS77H, ILE67G, ILE67H, LEU68G, LEU78G, LEU78H, LEU94G, LEU94H, LYS104G, LYS104H, LYS83G, LYS83H, LYS85G, LYS85H, LYS95G, LYS95H, PRO56G, PRO56H, SER55G, SER55H, THR97G, THR97H, TRP66G, TRP66H, TYR105G, TYR105H