2ARO

crystal structure of the native histone octamer to 2.1 angstrom resolution, crystalised in the presence of s-nitrosoglutathione

• Total interactions analyzed: 28
• Total true interactions: 25
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 155
  • Norm. En. per Res.: -6.1311
• Hub Node: A(7)

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	-108.5464	-42.4865	-776.987	-928.0199	170	38	47	30637	3	44	44
A-C	0.0	0.0	-2.957	-2.957	15	0	0	237	0	4	6
A-D	0.0	0.0	-0.2578	-0.2578	7	0	0	74	0	2	3
A-E	-2.9998	0.0	-23.5698	-26.5696	20	1	0	765	0	6	3
A-F	0.0	3.6597	-7.914	-4.2543	13	0	0	447	0	0	8
A-G	-25.1679	3.064	-141.708	-163.8119	71	3	5	6488	0	9	10
A-H	-59.0749	0.0	-98.5101	-157.585	48	7	5	4035	0	0	6
B-C	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	1
B-D	-32.8414	-3.4968	-158.639	-194.9772	57	7	1	5604	1	18	26
B-E	0.0	4.7892	-7.7886	-2.9994	15	0	0	520	0	0	8
B-F	-9.4097	22.329	-29.0506	-16.1313	25	10	0	1248	0	12	20
B-G	0.0	0.0	-0.0317	-0.0317	5	0	0	20	0	2	0
B-H	0.0	-12.6902	-76.3995	-89.0897	35	1	2	2929	0	8	4
C-D	-99.135	-96.0425	-755.148	-950.3255	155	15	45	30533	4	63	65
C-E	-35.4805	3.6371	-140.996	-172.8394	67	6	5	6282	0	9	7
C-F	0.0	0.0	-0.0106	-0.0106	5	0	0	11	0	2	0
C-G	-15.5907	-43.7917	-158.424	-217.8065	61	2	8	6587	2	26	37
D-E	-50.0323	1.7799	-94.2388	-142.4912	47	4	5	3996	0	0	5
D-F	-12.6109	-7.9138	-66.7625	-87.2872	34	7	2	2935	0	8	6
D-H	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	0	0
E-F	-96.146	-38.0862	-762.76	-896.9923	172	30	47	30938	2	45	40
E-G	0.0	0.0	-1.9632	-1.9632	15	0	0	165	0	5	8
E-H	0.0	0.0	-0.0217	-0.0217	8	0	0	17	0	2	3
F-H	-16.5746	-13.5093	-155.008	-185.0919	53	6	1	5509	1	16	25
G-H	-95.037	-40.9369	-765.355	-901.3289	159	20	46	31568	1	67	73

Interface residues

• A-B: ALA103A, ALA107B, ALA110B, ALA117B, ALA21A, ALA40A, ALA45A, ALA47A, ALA52A, ALA53A, ALA58B, ALA60A, ALA66A, ALA69A, ALA70A, ALA74B, ALA77B, ALA81B, ALA97B, ARG17A, ARG20A, ARG29A, ARG32A, ARG35A, ARG42A, ARG71A, ARG72B, ARG77A, ARG79B, ARG81A, ARG86B, ARG92B, ARG99B, ASN38A, ASN63B, ASN67B, ASN68A, ASN94A, ASP51B, ASP68B, ASP90A, GLN104A, GLN24A, GLN47B, GLN84A, GLN95B, GLU105B, GLU113B, GLU35B, GLU41A, GLU56A, GLU61A, GLU64A, GLU71B, GLU76B, GLU91A, GLU92A, GLU93B, GLY104B, GLY105A, GLY114B, GLY22A, GLY28A, GLY37A, GLY44A, GLY46A, GLY53B, GLY60B, GLY67A, GLY75B, GLY98A, HIS109B, HIS31A, HIS49B, HIS82A, HIS82B, ILE102A, ILE39B, ILE54B, ILE61B, ILE62A, ILE69B, ILE73B, ILE78A, ILE79A, ILE87A, ILE89B, ILE94B, LEU101B, LEU102B, LEU106B, LEU23A, LEU33A, LEU34A, LEU45B, LEU51A, LEU55A, LEU58A, LEU63A, LEU65A, LEU83A, LEU93A, LEU96A, LEU97A, LYS108B, LYS116B, LYS120B, LYS15A, LYS34B, LYS36A, LYS43B, LYS46B, LYS57B, LYS75A, LYS95A, LYS99A, MET59B, MET62B, PHE25A, PHE65B, PHE70B, PRO103B, PRO26A, PRO48A, PRO50B, PRO80A, SER112B, SER123B, SER124B, SER16A, SER18A, SER19A, SER36B, SER38B, SER55B, SER56B, SER64B, SER78B, SER87B, SER91B, THR101A, THR115B, THR119B, THR122B, THR52B, THR59A, THR76A, THR88B, THR90B, THR96B, TYR121B, TYR37B, TYR39A, TYR40B, TYR42B, TYR50A, TYR57A, VAL100A, VAL111B, VAL118B, VAL27A, VAL30A, VAL41B, VAL43A, VAL44B, VAL48B, VAL49A, VAL54A, VAL66B, VAL98B
• A-C: ALA113A, ALA135C, ARG129C, ARG131C, ARG134C, ASN110A, ASN94A, GLN112A, GLU133C, GLU91A, GLY132C, GLY98A, LEU126C, LYS95A, LYS99A
• A-D: ARG92D, ASN64D, GLN93D, GLY94D, LEU96A, LYS95A, LYS99A
• A-E: ALA40A, ALA40E, ARG35A, ARG35E, ARG42A, ARG42E, ASN38A, ASN38E, GLU41A, GLU41E, GLY37A, GLY37E, LEU34E, LYS36A, LYS36E, LYS99A, LYS99E, TYR39A, TYR39E, VAL43E
• A-F: ARG32A, ARG35A, ARG79F, ASN38A, GLY37A, HIS82F, ILE89F, LEU33A, LYS36A, LYS85F, SER78F, SER87F, TYR39A
• A-G: ALA103A, ALA111G, ALA113A, ALA47G, ALA91G, ALA95G, ALA98G, ARG116G, ARG40G, ARG49G, ARG52G, ARG53G, ARG81A, ARG88A, ASN108G, ASN110A, ASN73A, GLN104A, GLN112A, GLN55G, GLN84A, GLN93G, GLU105G, GLU50G, GLU59G, GLU94G, GLU97G, GLY102G, GLY105A, GLY106A, GLY44G, HIS113G, HIS39G, HIS82A, ILE102A, ILE111A, ILE112G, ILE119G, ILE51G, ILE79A, LEU108A, LEU109G, LEU115A, LEU116A, LEU48G, LEU60G, LEU61G, LEU85A, LYS115G, LYS118A, LYS56G, LYS64G, LYS75A, MET90G, PRO109A, PRO117A, PRO38G, PRO80A, SER57G, SER96G, THR101A, THR118G, THR45G, THR58G, TYR54G, TYR99G, VAL100A, VAL101G, VAL107A, VAL114A, VAL117G
• A-H: ALA103A, ALA113A, ARG39H, ARG40H, ARG45H, ARG81A, ARG88A, ARG95H, ASN110A, GLN104A, GLN112A, GLN93H, GLY105A, GLY106A, GLY41H, GLY42H, GLY94H, GLY98A, GLY99H, ILE102A, ILE111A, ILE62A, ILE87A, LEU108A, LEU115A, LEU116A, LEU37H, LEU83A, LEU90H, LEU96A, LEU97A, LEU97H, LYS44H, LYS91H, LYS99A, PHE100H, PHE61H, PRO109A, PRO117A, PRO80A, THR101A, THR96H, TYR98H, VAL100A, VAL107A, VAL114A, VAL43H, VAL87H
• B-C: LYS108B, PHE78C
• B-D: ALA107B, ALA69D, ALA76D, ALA77B, ALA81B, ALA83D, ALA89D, ALA97B, ARG67D, ARG72B, ARG78D, ARG79B, ARG86B, ARG92B, ARG92D, ARG99B, ASN64D, ASN84B, ASP68D, ASP85D, GLN93D, GLN95B, GLU105B, GLU74D, GLU76B, GLU93B, GLY104B, HIS75D, HIS82B, ILE89B, ILE94B, LEU100B, LEU101B, LEU102B, LEU80B, LYS108B, LYS77D, LYS85B, LYS91D, MET84D, PRO103B, SER78B, SER91B, THR71D, THR73D, THR82D, THR88B, THR90B, THR96B, TYR72D, TYR83B, TYR88D, VAL70D, VAL81D, VAL86D, VAL87D, VAL98B
• B-E: ALA81B, ARG79B, ARG86B, ASN38E, GLY37E, HIS82B, ILE89B, LEU33E, LYS36E, LYS85B, SER78B, SER87B, THR88B, TYR39E, TYR83B
• B-F: ALA81B, ARG33B, ARG33F, ARG79B, ARG79F, ARG86B, ASN84B, ASN84F, GLU35B, GLU35F, GLU71B, GLU71F, GLY75B, HIS82B, HIS82F, LEU80B, LYS34B, LYS34F, LYS85B, LYS85F, PHE70B, SER78B, SER78F, TYR83B, TYR83F
• B-G: ARG33B, GLN85G, GLU94G, LYS57B, MET90G
• B-H: ALA58B, ALA76H, ARG33B, ARG72B, ARG78H, ASN63B, ASN67B, ASP68B, ASP85H, GLU35B, GLU71B, GLY101H, GLY102H, GLY60B, GLY99H, ILE61B, ILE69B, LEU97H, LYS34B, LYS57B, LYS91H, MET59B, MET62B, MET84H, PHE100H, PHE65B, SER36B, SER56B, SER64B, THR82H, THR96H, TYR88H, TYR98H, VAL66B, VAL87H
• C-D: ALA111C, ALA33D, ALA38D, ALA47C, ALA69D, ALA75C, ALA83D, ALA88C, ALA89D, ALA91C, ALA95C, ALA98C, ARG116C, ARG128C, ARG131C, ARG134C, ARG23D, ARG35D, ARG36D, ARG39D, ARG40D, ARG42C, ARG45D, ARG49C, ARG52C, ARG53C, ARG55D, ARG63C, ARG67D, ARG69C, ARG72C, ARG78D, ARG83C, ARG95D, ASN108C, ASN25D, ASN64D, ASP106C, ASP123C, ASP24D, ASP68D, ASP77C, ASP81C, ASP85D, GLN125C, GLN27D, GLN55C, GLN68C, GLN76C, GLN85C, GLN93C, GLN93D, GLU105C, GLU133C, GLU50C, GLU52D, GLU53D, GLU59C, GLU63D, GLU73C, GLU74D, GLU94C, GLU97C, GLY102C, GLY102D, GLY28D, GLY41D, GLY42D, GLY44C, GLY48D, GLY56D, GLY99D, ILE112C, ILE119C, ILE124C, ILE26D, ILE29D, ILE34D, ILE46D, ILE50D, ILE51C, ILE62C, ILE66D, ILE74C, LEU100C, LEU103C, LEU109C, LEU22D, LEU37D, LEU48C, LEU49D, LEU58D, LEU60C, LEU61C, LEU62D, LEU65C, LEU70C, LEU82C, LEU90D, LEU92C, LEU97D, LYS122C, LYS31D, LYS44D, LYS56C, LYS59D, LYS79C, LYS79D, MET120C, MET84D, MET90C, PHE100D, PHE104C, PHE61D, PHE67C, PHE78C, PHE84C, PRO121C, PRO32D, PRO43C, PRO66C, SER47D, SER57C, SER86C, SER87C, SER96C, THR107C, THR118C, THR30D, THR45C, THR54D, THR58C, THR71D, THR73D, THR80C, THR80D, THR82D, THR96D, TYR51D, TYR54C, TYR98D, TYR99C, VAL101C, VAL117C, VAL43D, VAL46C, VAL57D, VAL60D, VAL65D, VAL70D, VAL71C, VAL81D, VAL86D, VAL87D, VAL89C
• C-E: ALA103E, ALA111C, ALA113E, ALA47C, ALA91C, ALA95C, ALA98C, ARG116C, ARG42C, ARG49C, ARG52C, ARG53C, ARG81E, ARG88E, ASN108C, ASN110E, ASN73E, GLN104E, GLN112E, GLN55C, GLN84E, GLN93C, GLU105C, GLU50C, GLU59C, GLU94C, GLU97C, GLY102C, GLY105E, GLY106E, GLY44C, HIS113C, HIS82E, ILE102E, ILE111E, ILE112C, ILE119C, ILE51C, ILE79E, LEU108E, LEU109C, LEU115E, LEU116E, LEU48C, LEU60C, LEU61C, LEU85E, LYS115C, LYS56C, LYS64C, MET90C, PRO109E, PRO117E, PRO80E, SER57C, SER96C, THR101E, THR118C, THR45C, THR58C, TYR54C, TYR99C, VAL100E, VAL101C, VAL107E, VAL114E, VAL117C
• C-F: GLU59C, GLU94C, LYS57F, LYS64C, MET90C
• C-G: ALA111C, ALA111G, ALA114C, ALA114G, ALA127C, ALA127G, ALA135G, ARG116C, ARG116G, ARG128C, ARG128G, ARG129C, ARG129G, ARG131C, ARG131G, ARG134C, ARG134G, ASN108C, ASN108G, ASP106C, ASP106G, ASP123C, ASP123G, CYS110C, CYS110G, GLN125C, GLN125G, GLU105C, GLU105G, GLY102C, GLY102G, GLY132C, GLY132G, HIS113C, HIS113G, ILE112C, ILE112G, ILE119C, ILE119G, ILE124C, ILE124G, ILE130C, ILE130G, LEU103C, LEU103G, LEU109C, LEU109G, LEU126C, LEU126G, LYS115C, LYS115G, LYS122C, LYS122G, MET120C, MET120G, PRO121C, PRO121G, THR107C, THR107G, THR118C, THR118G
• D-E: ALA103E, ALA113E, ARG39D, ARG40D, ARG45D, ARG81E, ARG88E, ARG95D, ASN110E, GLN104E, GLN112E, GLN93D, GLY105E, GLY106E, GLY41D, GLY42D, GLY94D, GLY98E, GLY99D, ILE102E, ILE111E, ILE62E, ILE87E, LEU108E, LEU115E, LEU116E, LEU37D, LEU83E, LEU90D, LEU96E, LEU97D, LEU97E, LYS44D, LYS91D, LYS99E, PHE100D, PHE61D, PRO109E, PRO117E, PRO80E, THR101E, THR96D, TYR98D, VAL100E, VAL107E, VAL114E, VAL43D
• D-F: ALA58F, ARG33F, ARG72F, ARG78D, ARG79F, ASN63F, ASN67F, ASP68F, GLU35F, GLU71F, GLY101D, GLY102D, GLY60F, GLY99D, ILE61F, ILE69F, LEU97D, LYS34F, LYS57F, LYS91D, MET59F, MET62F, MET84D, PHE100D, PHE65F, PHE70F, SER36F, SER56F, SER64F, THR96D, TYR88D, TYR98D, VAL66F, VAL87D
• D-H: ARG92H, LYS91D
• E-F: ALA103E, ALA107F, ALA110F, ALA117F, ALA14E, ALA21E, ALA40E, ALA45E, ALA47E, ALA52E, ALA53E, ALA58F, ALA60E, ALA66E, ALA69E, ALA70E, ALA74F, ALA77F, ALA81F, ALA97F, ARG17E, ARG20E, ARG29E, ARG32E, ARG33F, ARG35E, ARG42E, ARG71E, ARG72F, ARG77E, ARG79F, ARG81E, ARG86F, ARG92F, ARG99F, ASN38E, ASN63F, ASN67F, ASN68E, ASN94E, ASP51F, ASP68F, ASP90E, GLN104E, GLN24E, GLN47F, GLN84E, GLN95F, GLU105F, GLU113F, GLU35F, GLU41E, GLU56E, GLU61E, GLU64E, GLU71F, GLU76F, GLU91E, GLU92E, GLU93F, GLY104F, GLY105E, GLY114F, GLY22E, GLY28E, GLY37E, GLY44E, GLY46E, GLY53F, GLY60F, GLY67E, GLY75F, GLY98E, HIS109F, HIS31E, HIS49F, HIS82E, HIS82F, ILE102E, ILE39F, ILE54F, ILE61F, ILE62E, ILE69F, ILE73F, ILE78E, ILE79E, ILE87E, ILE89F, ILE94F, LEU101F, LEU102F, LEU106F, LEU23E, LEU33E, LEU34E, LEU45F, LEU51E, LEU55E, LEU58E, LEU63E, LEU65E, LEU83E, LEU93E, LEU96E, LEU97E, LYS108F, LYS116F, LYS120F, LYS125F, LYS34F, LYS36E, LYS43F, LYS46F, LYS57F, LYS75E, LYS95E, LYS99E, MET59F, MET62F, PHE25E, PHE65F, PHE70F, PRO103F, PRO26E, PRO48E, PRO50F, PRO80E, SER112F, SER123F, SER124F, SER16E, SER18E, SER19E, SER36F, SER38F, SER55F, SER56F, SER64F, SER78F, SER87F, SER91F, THR101E, THR115F, THR119F, THR122F, THR52F, THR59E, THR76E, THR88F, THR90F, THR96F, TYR121F, TYR37F, TYR39E, TYR40F, TYR42F, TYR50E, TYR57E, VAL100E, VAL111F, VAL118F, VAL27E, VAL30E, VAL41F, VAL43E, VAL44F, VAL48F, VAL49E, VAL54E, VAL66F, VAL98F
• E-G: ALA113E, ALA135G, ARG129G, ARG131G, ARG134G, ARG88E, ASN110E, ASN94E, GLN112E, GLU133G, GLU91E, GLY132G, GLY98E, LYS95E, LYS99E
• E-H: ARG67H, ARG92H, ASN64H, GLN93H, GLY94H, LEU96E, LYS95E, LYS99E
• F-H: ALA107F, ALA69H, ALA76H, ALA77F, ALA81F, ALA83H, ALA89H, ALA97F, ARG67H, ARG72F, ARG78H, ARG79F, ARG86F, ARG92F, ARG92H, ARG99F, ASN64H, ASN84F, ASP68H, ASP85H, GLN95F, GLU74H, GLU76F, GLU93F, GLY104F, HIS75H, HIS82F, ILE73F, ILE89F, ILE94F, LEU100F, LEU101F, LEU102F, LEU80F, LYS77H, LYS91H, MET84H, PRO103F, SER78F, SER91F, THR71H, THR73H, THR82H, THR88F, THR90F, THR96F, TYR72H, TYR83F, TYR88H, VAL70H, VAL86H, VAL87H, VAL98F
• G-H: ALA111G, ALA33H, ALA38H, ALA47G, ALA69H, ALA75G, ALA83H, ALA88G, ALA89H, ALA91G, ALA95G, ALA98G, ARG116G, ARG128G, ARG131G, ARG134G, ARG19H, ARG23H, ARG35H, ARG36H, ARG39H, ARG40H, ARG42G, ARG45H, ARG49G, ARG52G, ARG53G, ARG55H, ARG63G, ARG67H, ARG69G, ARG72G, ARG78H, ARG83G, ARG95H, ASN108G, ASN25H, ASN64H, ASP106G, ASP123G, ASP24H, ASP68H, ASP77G, ASP81G, ASP85H, GLN125G, GLN27H, GLN55G, GLN68G, GLN76G, GLN85G, GLN93G, GLN93H, GLU105G, GLU133G, GLU50G, GLU52H, GLU53H, GLU59G, GLU63H, GLU73G, GLU74H, GLU94G, GLU97G, GLY102G, GLY102H, GLY28H, GLY41H, GLY42H, GLY44G, GLY48H, GLY56H, GLY99H, HIS39G, ILE112G, ILE119G, ILE124G, ILE26H, ILE29H, ILE34H, ILE46H, ILE50H, ILE51G, ILE62G, ILE66H, ILE74G, LEU100G, LEU103G, LEU109G, LEU22H, LEU37H, LEU48G, LEU49H, LEU58H, LEU60G, LEU61G, LEU62H, LEU65G, LEU70G, LEU82G, LEU90H, LEU92G, LEU97H, LYS122G, LYS20H, LYS44H, LYS56G, LYS59H, LYS77H, LYS79G, LYS79H, MET120G, MET84H, MET90G, PHE100H, PHE104G, PHE61H, PHE67G, PHE78G, PHE84G, PRO121G, PRO32H, PRO43G, PRO66G, SER47H, SER57G, SER86G, SER87G, SER96G, THR107G, THR118G, THR30H, THR45G, THR54H, THR58G, THR71H, THR73H, THR80G, THR80H, THR82H, THR96H, TYR51H, TYR54G, TYR98H, TYR99G, VAL101G, VAL117G, VAL21H, VAL43H, VAL46G, VAL57H, VAL60H, VAL65H, VAL70H, VAL71G, VAL81H, VAL86H, VAL87H, VAL89G