3IQ6

crystal structure of a tetrameric zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 38
  • Norm. En. per Res.: -6.8416
• 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	0.0	70.8842	-159.368	-88.4838	77	9	2	6817	0	29	27
A-C	-6.5532	-67.348	-68.5067	-142.4079	30	0	0	1930	10	16	18
A-D	-9.837	-28.5544	638.602	600.2106	69	5	2	3070	4	37	35
B-C	0.0	-27.6	566.542	538.942	68	6	2	3257	4	40	36
B-D	-9.6545	-62.9293	-72.7043	-145.2881	28	0	0	2052	7	16	17
B-E	-40.9383	-145.568	-73.4757	-259.982	38	7	0	2942	11	39	23
C-D	0.0	68.4631	-164.53	-96.0669	69	7	2	6515	0	28	28
C-E	0.0	0.0	-0.0111	-0.0111	4	0	0	9	0	2	3
C-H	0.0	-5.7924	-59.7431	-65.5355	39	1	0	2526	1	25	24
E-F	0.0	-20.6057	603.239	582.6333	70	4	2	3187	5	41	35
E-G	0.0	-64.3817	-73.4773	-137.859	29	0	0	2071	7	16	18
E-H	0.0	49.1605	-153.943	-104.7825	72	7	2	6377	0	30	28
F-G	0.0	62.4674	-134.052	-71.5846	69	21	2	6327	0	28	27
F-H	-4.9408	-62.0468	-65.4735	-132.4611	27	0	0	1987	6	14	17
G-H	0.0	-12.9307	660.992	648.0613	69	4	1	2823	2	40	37

Interface residues

• A-B: ALA1A, ALA23B, ALA24B, ALA29B, ALA34A, ALA34B, ALA35A, ALA35B, ALA36A, ALA36B, ALA37A, ALA37B, ALA38A, ALA38B, ALA40A, ALA40B, ALA75A, ALA75B, ALA79B, ARG62A, ARG62B, ASN80A, ASN80B, ASP28A, ASP28B, ASP39A, ASP39B, ASP54A, ASP54B, ASP60A, ASP60B, ASP74A, ASP74B, GLN71B, GLY70A, GLY70B, HIS59A, HIS59B, HIS63A, HIS63B, HIS73A, HIS73B, HIS77A, HIS77B, ILE67A, ILE67B, ILE69A, ILE69B, ILE72A, ILE72B, LEU30A, LEU30B, LEU68B, LEU76A, LEU76B, LYS27A, LYS27B, LYS32A, LYS32B, MET33A, MET33B, MET58A, PHE65A, PHE65B, PRO53A, PRO53B, PRO56A, SER42A, SER42B, SER55A, THR31A, THR31B, TRP41A, TRP41B, TRP66A, TRP66B, VAL26B
• A-C: ALA75A, ALA75C, ALA79A, ALA79C, ASN80A, ASN80C, ASP74A, ASP74C, GLN71A, GLN71C, GLU81A, GLU81C, GLU86A, GLU86C, GLY70A, GLY70C, GLY82A, GLY82C, HIS73A, HIS73C, HIS77A, HIS77C, LEU76A, LEU76C, LEU78A, LEU78C, LYS27A, LYS27C, LYS83A, LYS83C
• A-D: ALA100A, ALA100D, ALA75A, ALA75D, ALA87A, ALA89A, ALA89D, ALA90A, ALA90D, ASN99A, ASN99D, ASP60A, ASP60D, ASP74A, ASP74D, CYS101A, CYS101D, CYS96A, CYS96D, CYS98A, CYS98D, GLN103D, GLN71A, GLN71D, GLN93A, GLN93D, GLU57D, GLU81A, GLU81D, GLU86A, GLU86D, GLU92A, GLU92D, GLY64A, GLY64D, GLY70D, HIS59A, HIS59D, HIS63A, HIS63D, HIS77A, HIS77D, ILE67A, ILE67D, LEU68A, LEU68D, LEU78A, LEU78D, LEU94A, LEU94D, LYS104A, LYS104D, LYS83A, LYS83D, LYS85A, LYS85D, LYS95A, LYS95D, MET58D, PHE61D, PRO56A, PRO56D, SER55D, THR97A, THR97D, TRP66A, TRP66D, TYR105A, TYR105D
• B-C: ALA100B, ALA100C, ALA75B, ALA75C, ALA89B, ALA89C, ALA90B, ALA90C, ASN99B, ASN99C, ASP60B, ASP60C, ASP74B, ASP74C, CYS101B, CYS101C, CYS96B, CYS96C, CYS98B, CYS98C, GLN103C, GLN71B, GLN71C, GLN93B, GLN93C, GLU57B, GLU57C, GLU81B, GLU81C, GLU86B, GLU86C, GLU92B, GLU92C, GLY64B, GLY64C, GLY70C, HIS59B, HIS59C, HIS63B, HIS63C, HIS77B, HIS77C, ILE67B, ILE67C, LEU68B, LEU68C, LEU78B, LEU78C, LEU94B, LEU94C, LYS104B, LYS104C, LYS83B, LYS83C, LYS85B, LYS85C, LYS95B, LYS95C, PHE61B, PHE61C, PRO56B, PRO56C, SER55B, THR97B, THR97C, TRP66B, TRP66C, TYR105B
• B-D: ALA75B, ALA75D, ALA79B, ALA79D, ASN80B, ASN80D, ASP74B, ASP74D, GLN71B, GLN71D, GLU81B, GLU81D, GLU86B, GLY70B, GLY70D, GLY82B, GLY82D, HIS73B, HIS73D, HIS77B, HIS77D, LEU76B, LEU76D, LEU78B, LEU78D, LYS27B, LYS83B, LYS83D
• B-E: ALA100B, ALA1E, ALA43E, ALA89B, ARG106B, ASN11B, ASN11E, ASN13E, ASN6E, ASN99B, ASP12E, ASP2E, ASP39E, ASP5E, CYS101B, CYS96B, CYS98B, GLN103B, GLN88B, GLU18B, GLU4E, GLU8E, GLU92B, HIS102B, LEU10E, LEU14B, LEU3E, LYS104B, LYS15B, LYS15E, LYS19B, LYS19E, LYS32E, LYS95B, MET7E, THR9E, TYR105B, VAL16E
• C-D: ALA34C, ALA34D, ALA35C, ALA35D, ALA36C, ALA36D, ALA37C, ALA37D, ALA38C, ALA38D, ALA40C, ALA40D, ALA75C, ALA75D, ARG62C, ARG62D, ASN80C, ASN80D, ASP28C, ASP28D, ASP39C, ASP39D, ASP54C, ASP54D, ASP60C, ASP60D, ASP74C, ASP74D, GLN71D, GLY70C, GLY70D, HIS59C, HIS59D, HIS63C, HIS63D, HIS73C, HIS73D, HIS77C, HIS77D, ILE67C, ILE67D, ILE69C, ILE69D, ILE72C, ILE72D, LEU30C, LEU30D, LEU68D, LEU76C, LEU76D, LYS27C, LYS27D, LYS32C, LYS32D, MET33C, MET33D, MET58C, PHE65C, PHE65D, PRO53C, PRO53D, SER42C, SER42D, THR31C, THR31D, TRP41C, TRP41D, TRP66C, TRP66D
• C-E: ASP28E, GLN103C, LYS32E, THR31E
• C-H: ALA100C, ALA1H, ALA43H, ARG106C, ARG62H, ASN11C, ASN99C, ASP12C, ASP2H, ASP50H, ASP54H, ASP5H, CYS101C, CYS98C, GLN103C, GLU18C, GLU49H, GLU4C, GLU4H, GLU8C, HIS102C, LEU3H, LEU48H, LYS104C, LYS15C, LYS19C, LYS47C, LYS51H, LYS95C, MET58H, MET7C, PRO45H, PRO46H, PRO53H, SER42H, SER52H, SER55H, THR44H, TYR105C
• E-F: ALA100E, ALA100F, ALA75E, ALA75F, ALA89E, ALA89F, ALA90E, ALA90F, ASN99E, ASN99F, ASP54F, ASP60E, ASP60F, ASP74E, ASP74F, CYS101E, CYS101F, CYS96E, CYS96F, CYS98E, CYS98F, GLN103E, GLN71E, GLN71F, GLN93E, GLN93F, GLU57E, GLU57F, GLU81E, GLU81F, GLU86E, GLU86F, GLU92E, GLU92F, GLY64F, GLY70E, GLY70F, HIS59E, HIS59F, HIS63E, HIS63F, HIS77E, HIS77F, ILE67E, ILE67F, LEU68F, LEU78E, LEU78F, LEU94E, LEU94F, LYS104E, LYS104F, LYS83E, LYS83F, LYS85E, LYS85F, LYS95E, LYS95F, MET58F, PHE61E, 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: ALA24H, ALA29H, ALA34E, ALA34H, ALA35E, ALA35H, ALA36E, ALA36H, ALA37E, ALA37H, ALA38E, ALA38H, ALA40E, ALA40H, ALA75E, ALA75H, ARG62E, ARG62H, ASN80E, ASN80H, ASP28H, ASP39E, ASP39H, ASP54E, ASP54H, ASP60E, ASP60H, ASP74E, ASP74H, GLN71H, GLY70E, GLY70H, HIS59E, HIS59H, HIS63E, HIS63H, HIS73E, HIS73H, HIS77E, HIS77H, ILE67E, ILE67H, ILE69E, ILE69H, ILE72E, ILE72H, LEU30E, LEU30H, LEU68H, LEU76E, LEU76H, LYS27E, LYS27H, LYS32E, LYS32H, MET33E, MET33H, MET58E, PHE65E, PHE65H, PRO53E, PRO56E, SER42E, SER42H, SER55E, THR31E, THR31H, TRP41E, TRP41H, TRP66E, TRP66H, VAL26H
• F-G: ALA34F, ALA34G, ALA35F, ALA35G, ALA36F, ALA36G, ALA37F, ALA37G, ALA38F, ALA38G, ALA40F, ALA40G, ALA75F, ARG62F, ARG62G, ASN80F, ASN80G, ASP28F, ASP28G, ASP39F, ASP39G, ASP54F, ASP54G, ASP60F, ASP60G, ASP74F, ASP74G, GLN71F, GLY70F, GLY70G, HIS59F, HIS59G, HIS63F, HIS63G, HIS73F, HIS73G, HIS77F, HIS77G, ILE67F, ILE67G, ILE69F, ILE69G, ILE72F, ILE72G, LEU30F, LEU30G, LEU68F, LEU68G, LEU76F, LEU76G, LYS27F, LYS27G, LYS32F, LYS32G, MET33F, MET33G, MET58G, PHE65F, PHE65G, PRO53F, PRO53G, SER42F, SER42G, THR31F, THR31G, TRP41F, TRP41G, TRP66F, TRP66G
• F-H: ALA75F, ALA75H, ALA79F, ALA79H, ASN80F, ASN80H, ASP74F, ASP74H, GLN71F, GLU81F, GLU81H, 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, ASP54H, ASP60G, ASP60H, ASP74G, ASP74H, CYS101G, CYS101H, CYS96G, CYS96H, CYS98G, CYS98H, 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, LEU68H, LEU78G, LEU78H, LEU94G, LEU94H, LYS104G, LYS104H, LYS83G, LYS83H, LYS85G, LYS85H, LYS95G, LYS95H, PRO56G, PRO56H, SER55G, SER55H, THR97G, THR97H, TRP66G, TRP66H, TYR105G, TYR105H