3OJ3

crystal structure of the a20 znf4 and ubiquitin complex

• Total interactions analyzed: 120
• Total true interactions: 29
• Strongest Interaction:
  • Chains: A-N
  • Int. Res.: 38
  • Norm. En. per Res.: -3.3285
• Hub Node: D(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-C	-9.5592	-38.6438	-49.2274	-97.4304	39	1	0	2271	5	18	8
A-F	-20.3685	-12.4364	-39.8609	-72.6658	36	4	0	1931	3	18	8
A-I	-13.7464	0.0	-101.18	-114.9264	42	7	0	3743	0	5	6
A-N	-23.3682	-22.0943	-81.0224	-126.4849	38	4	5	3782	0	10	8
B-C	-15.3867	-9.3904	-48.5928	-73.3699	40	2	0	2242	3	18	9
B-H	0.0	0.0	-0.1141	-0.1141	3	0	0	28	0	1	1
B-J	-21.9017	0.0	-100.871	-122.7727	41	5	1	3509	0	5	7
B-K	-23.7034	-15.1231	-83.0416	-121.8681	39	8	5	4020	0	12	10
C-I	-14.4174	-19.4305	-76.225	-110.0729	39	9	5	4221	1	10	10
C-K	-17.9385	0.0	-107.107	-125.0455	41	10	2	3724	0	5	7
D-E	-11.0641	-27.106	-54.2396	-92.4097	39	1	0	2328	3	18	8
D-F	0.0	0.0	-0.3367	-0.3367	7	0	0	69	0	2	3
D-G	-24.449	-42.5658	-62.2789	-129.2937	42	2	0	2659	7	18	9
D-I	-3.6704	-1.7289	-52.8661	-58.2654	37	6	0	2453	0	6	12
D-L	-26.657	0.0	-98.6631	-125.3201	40	8	2	3649	0	5	7
D-M	-6.4628	-13.3042	-69.8915	-89.6585	39	1	5	3650	0	11	10
D-O	0.0	0.0	-0.0899	-0.0899	4	0	0	27	0	0	0
E-H	0.0	5.7482	-40.7067	-34.9585	38	1	0	2074	2	18	8
E-I	0.0	0.0	-0.0003	-0.0003	2	0	0	1	0	2	1
E-M	-13.6511	0.0	-92.6635	-106.3146	40	9	2	3429	0	5	6
E-P	-16.1502	-13.7517	-81.3726	-111.2745	40	6	5	4022	0	11	10
F-G	0.0	0.0	-2.8765	-2.8765	14	0	0	270	0	5	4
F-N	-19.0927	0.0	-82.0764	-101.1691	41	18	2	3645	0	5	6
F-O	-9.2835	-21.9491	-26.0679	-57.3004	21	3	0	1352	2	8	5
G-L	0.0	-6.8767	-34.7939	-41.6706	34	1	3	2595	0	7	8
G-O	-17.3331	0.0	-100.288	-117.6211	39	5	2	3696	0	5	6
H-I	0.0	0.0	-0.27	-0.27	3	0	0	36	0	2	0
H-P	-27.8496	0.0	-91.808	-119.6576	41	12	2	3746	0	5	7
I-M	0.0	0.0	-2.9163	-2.9163	13	0	0	410	0	2	2

Interface residues

• A-C: ALA46C, ARG42A, ARG54A, ARG72A, ASN25A, ASN60C, ASP39A, ASP52A, GLN31A, GLN62C, GLU24A, GLU51A, GLU64C, GLY10C, GLY47C, GLY53A, HIS68C, ILE23A, ILE44C, LEU67C, LEU69C, LEU8C, LYS27A, LYS48C, LYS63C, LYS6C, PHE45C, PHE4C, PRO37A, PRO38A, SER20A, SER65C, THR12C, THR22A, THR55A, THR66C, THR7C, THR9C, VAL70C
• A-F: ALA46A, ARG42F, ARG54F, ARG72F, ASN25F, ASP39F, ASP52F, GLN62A, GLU24F, GLU51F, GLU64A, GLY10A, GLY47A, GLY53F, HIS68A, ILE23F, ILE44A, LEU67A, LEU69A, LEU8A, LYS48A, LYS63A, LYS6A, PHE45A, PHE4A, PRO38F, SER20F, SER65A, THR12A, THR22F, THR55F, THR66A, THR7A, THR9A, TYR59F, VAL70A
• A-I: ARG54A, ASN60A, ASN620I, ASP21A, ASP52A, ASP58A, CYS607I, CYS612I, CYS624I, CYS627I, GLN49A, GLN62A, GLU51A, GLU619I, GLY53A, GLY603I, GLY616I, ILE61A, ILE629I, LEU50A, LEU56A, LEU626I, LYS48A, LYS606I, LYS609I, PHE45A, PHE615I, PHE623I, PHE628I, PRO19A, PRO618I, SER20A, SER57A, SER605I, THR22A, THR55A, THR604I, THR617I, THR625I, TYR59A, TYR614I, VAL613I
• A-N: ALA46A, ARG42A, ARG632N, ARG72A, ASN634N, CYS612N, CYS624N, CYS627N, GLN40A, GLN41A, GLN49A, GLU630N, GLU633N, GLY10A, GLY47A, HIS68A, ILE44A, ILE629N, LEU43A, LEU626N, LEU67A, LEU69A, LEU71A, LEU73A, LEU8A, LYS48A, LYS609N, LYS6A, PHE45A, PHE628N, THR625N, THR66A, THR7A, THR9A, TYR614N, TYR631N, VAL613N, VAL70A
• B-C: ALA46B, ARG42C, ARG54C, ARG72C, ASN25C, ASP39C, ASP52C, GLN31C, GLN62B, GLU24C, GLU51C, GLU64B, GLY10B, GLY47B, GLY53C, HIS68B, ILE23C, ILE44B, ILE61B, LEU67B, LEU69B, LEU8B, LYS27C, LYS48B, LYS63B, LYS6B, PHE45B, PHE4B, PRO37C, PRO38C, SER20C, SER65B, THR12B, THR22C, THR55C, THR66B, THR7B, THR9B, TYR59C, VAL70B
• B-H: GLN2B, GLU16B, LYS63H
• B-J: ARG54B, ASN60B, ASN620J, ASP21B, ASP52B, ASP58B, CYS607J, CYS612J, CYS624J, CYS627J, GLN49B, GLN62B, GLU51B, GLU619J, GLY53B, GLY616J, ILE23B, ILE61B, ILE629J, LEU50B, LEU56B, LEU626J, LYS48B, LYS606J, LYS609J, PHE45B, PHE615J, PHE623J, PHE628J, PRO19B, PRO618J, SER20B, SER57B, SER605J, THR22B, THR55B, THR617J, THR625J, TYR59B, TYR614J, VAL613J
• B-K: ALA46B, ARG42B, ARG632K, ARG72B, ASN634K, CYS612K, CYS624K, CYS627K, GLN40B, GLN41B, GLN49B, GLU630K, GLU633K, GLY10B, GLY47B, HIS68B, ILE44B, ILE629K, LEU43B, LEU50B, LEU626K, LEU67B, LEU69B, LEU71B, LEU8B, LYS48B, LYS609K, LYS635K, LYS6B, PHE45B, PHE628K, THR625K, THR66B, THR7B, THR9B, TYR614K, TYR631K, VAL613K, VAL70B
• C-I: ALA46C, ARG42C, ARG632I, ARG72C, ASN634I, CYS607I, CYS612I, CYS624I, CYS627I, GLN40C, GLN41C, GLN49C, GLU630I, GLU633I, GLY10C, GLY47C, HIS68C, ILE44C, ILE629I, LEU43C, LEU626I, LEU67C, LEU69C, LEU71C, LEU73C, LEU8C, LYS48C, LYS609I, LYS635I, LYS6C, PHE45C, PHE628I, THR625I, THR66C, THR7C, THR9C, TYR614I, TYR631I, VAL70C
• C-K: ARG54C, ASN60C, ASN620K, ASP21C, ASP52C, ASP58C, CYS607K, CYS612K, CYS624K, CYS627K, GLN49C, GLN62C, GLU51C, GLU619K, GLY53C, GLY616K, ILE23C, ILE61C, ILE629K, LEU50C, LEU56C, LEU626K, LYS48C, LYS606K, LYS609K, PHE45C, PHE615K, PHE623K, PHE628K, PRO19C, PRO618K, SER20C, SER57C, SER605K, THR22C, THR55C, THR617K, THR625K, TYR59C, TYR614K, VAL613K
• D-E: ALA46D, ARG42E, ARG54E, ARG72E, ASN25E, ASP39E, ASP52E, GLN62D, GLU24E, GLU51E, GLU64D, GLY10D, GLY47D, GLY53E, HIS68D, ILE23E, ILE44D, ILE61D, LEU67D, LEU69D, LEU73E, LEU8D, LYS48D, LYS63D, LYS6D, PHE45D, PHE4D, PRO37E, PRO38E, SER20E, SER65D, THR12D, THR22E, THR55E, THR66D, THR7D, THR9D, TYR59E, VAL70D
• D-F: ASP32F, ASP39D, GLN31D, GLN31F, GLN40D, GLY35F, PRO37D
• D-G: ALA46G, ARG42D, ARG54D, ARG72D, ASN25D, ASN60G, ASP39D, ASP52D, GLN31D, GLN40D, GLN41D, GLN62G, GLU24D, GLU51D, GLU64G, GLY10G, GLY47G, GLY53D, HIS68G, ILE23D, ILE44G, ILE61G, LEU67G, LEU69G, LEU8G, LYS27D, LYS48G, LYS63G, LYS6G, PHE45G, PHE4G, PRO37D, PRO38D, SER20D, SER65G, THR12G, THR22D, THR55D, THR66G, THR7G, THR9G, VAL70G
• D-I: ALA610I, ARG608I, ASN620I, CYS607I, CYS612I, GLN40D, GLU34D, GLY10D, GLY35D, GLY603I, GLY611I, GLY616I, GLY622I, ILE13D, ILE36D, LEU69D, LEU71D, LEU73D, LEU8D, LYS11D, LYS33D, LYS606I, LYS609I, LYS621I, LYS6D, PHE615I, PHE623I, PRO37D, PRO618I, SER605I, THR12D, THR604I, THR617I, THR7D, THR9D, TYR614I, VAL613I
• D-L: ARG54D, ASN60D, ASN620L, ASP21D, ASP52D, ASP58D, CYS607L, CYS612L, CYS624L, CYS627L, GLN49D, GLN62D, GLU51D, GLU619L, GLY53D, GLY616L, ILE61D, ILE629L, LEU50D, LEU56D, LEU626L, LYS48D, LYS606L, LYS609L, PHE45D, PHE615L, PHE623L, PHE628L, PRO19D, PRO618L, SER20D, SER57D, SER605L, THR22D, THR55D, THR617L, THR625L, TYR59D, TYR614L, VAL613L
• D-M: ALA46D, ARG42D, ARG632M, ARG72D, ASN634M, CYS612M, CYS624M, CYS627M, GLN40D, GLN41D, GLN49D, GLU630M, GLU633M, GLY10D, GLY47D, HIS68D, ILE44D, ILE629M, LEU43D, LEU626M, LEU67D, LEU69D, LEU71D, LEU73D, LEU8D, LYS48D, LYS609M, LYS635M, LYS6D, PHE45D, PHE628M, THR625M, THR66D, THR7D, THR9D, TYR614M, TYR631M, VAL613M, VAL70D
• D-O: ALA28D, ASP32D, GLN31D, THR604O
• E-H: ALA46E, ARG42H, ARG54H, ASN25H, ASP21H, ASP39H, ASP52H, GLN31H, GLN62E, GLU24H, GLU51H, GLU64E, GLY10E, GLY47E, GLY53H, HIS68E, ILE23H, ILE44E, ILE61E, LEU67E, LEU8E, LYS27H, LYS48E, LYS63E, LYS6E, PHE45E, PHE4E, PRO37H, PRO38H, SER20H, SER65E, THR12E, THR22H, THR55H, THR66E, THR7E, THR9E, VAL26H
• E-I: ARG54E, ARG608I
• E-M: ARG54E, ASN60E, ASN620M, ASP21E, ASP52E, ASP58E, CYS607M, CYS612M, CYS624M, CYS627M, GLN49E, GLN62E, GLU51E, GLU619M, GLY53E, GLY616M, ILE61E, ILE629M, LEU50E, LEU56E, LEU626M, LYS48E, LYS606M, LYS609M, PHE45E, PHE615M, PHE623M, PHE628M, PRO19E, PRO618M, SER20E, SER57E, SER605M, THR22E, THR55E, THR617M, THR625M, TYR59E, TYR614M, VAL613M
• E-P: ALA46E, ARG42E, ARG632P, ARG72E, ASN634P, CYS607P, CYS612P, CYS624P, CYS627P, GLN40E, GLN41E, GLN49E, GLU630P, GLU633P, GLY10E, GLY47E, HIS68E, ILE44E, ILE629P, LEU43E, LEU50E, LEU626P, LEU67E, LEU69E, LEU71E, LEU73E, LEU8E, LYS48E, LYS609P, LYS635P, LYS6E, PHE45E, PHE628P, THR625P, THR66E, THR7E, THR9E, TYR614P, TYR631P, VAL70E
• F-G: ASP32F, GLN31F, GLN62G, GLU18G, GLU34F, GLY35F, ILE36F, LYS11F, LYS33F, LYS63G, MET1G, PRO19G, PRO37F, SER20G
• F-N: ARG54F, ASN60F, ASN620N, ASP21F, ASP52F, ASP58F, CYS607N, CYS612N, CYS624N, CYS627N, GLN49F, GLN62F, GLU51F, GLU619N, GLY53F, GLY616N, ILE23F, ILE61F, ILE629N, LEU50F, LEU56F, LEU626N, LYS48F, LYS606N, LYS609N, PHE45F, PHE615N, PHE623N, PHE628N, PRO19F, PRO618N, SER20F, SER57F, SER605N, THR22F, THR55F, THR617N, THR625N, TYR59F, TYR614N, VAL613N
• F-O: ARG608O, ASN620O, GLN2F, GLU16F, GLU34F, GLU619O, GLY622O, ILE13F, ILE3F, LEU15F, LYS11F, LYS33F, LYS621O, PHE4F, PRO618O, SER605O, THR12F, THR14F, THR604O, THR617O, VAL5F
• G-L: ALA46G, ARG42G, ARG632L, ASN634L, CYS612L, CYS624L, CYS627L, GLN49G, GLU630L, GLU633L, GLY10G, GLY47G, HIS68G, ILE44G, ILE629L, LEU43G, LEU626L, LEU67G, LEU69G, LEU71G, LEU8G, LYS48G, LYS609L, LYS6G, PHE45G, PHE628L, THR625L, THR66G, THR7G, THR9G, TYR614L, TYR631L, VAL613L, VAL70G
• G-O: ARG54G, ASN60G, ASN620O, ASP21G, ASP52G, ASP58G, CYS607O, CYS612O, CYS624O, CYS627O, GLN49G, GLN62G, GLU51G, GLU619O, GLY53G, GLY616O, ILE23G, ILE61G, LEU50G, LEU56G, LEU626O, LYS48G, LYS606O, PHE45G, PHE615O, PHE623O, PHE628O, PRO19G, SER20G, SER57G, SER605O, THR22G, THR55G, THR604O, THR617O, THR625O, TYR59G, TYR614O, VAL613O
• H-I: GLU18H, LYS635I, PRO19H
• H-P: ARG54H, ASN60H, ASN620P, ASP21H, ASP52H, ASP58H, CYS607P, CYS612P, CYS624P, CYS627P, GLN49H, GLN62H, GLU51H, GLU619P, GLY53H, GLY616P, ILE23H, ILE61H, ILE629P, LEU50H, LEU56H, LEU626P, LYS48H, LYS606P, LYS609P, PHE45H, PHE615P, PHE623P, PHE628P, PRO19H, PRO618P, SER20H, SER57H, SER605P, THR22H, THR55H, THR617P, THR625P, TYR59H, TYR614P, VAL613P
• I-M: ALA610M, ARG608I, ASN620I, CYS612M, GLU619I, GLU630M, GLY611M, LYS609M, LYS621I, PRO618I, TYR614M, TYR631I, VAL613M