2C2L

crystal structure of the chip u-box e3 ubiquitin ligase

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: D-H
  • Int. Res.: 47
  • Norm. En. per Res.: -3.5265
• Hub Node: A(4)

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	-10.5697	9.0701	-403.563	-405.0626	149	27	24	18074	2	49	62
A-C	0.0	-12.6731	-40.4835	-53.1566	33	5	0	2428	0	12	12
A-D	0.0	27.2367	-34.0094	-6.7727	36	2	0	2231	0	6	7
A-E	-10.9431	-35.0348	-131.073	-177.0509	52	16	2	5541	1	20	14
B-C	-2.5371	12.6253	-114.407	-104.3187	57	13	5	5136	0	13	9
B-F	-7.5156	-35.0721	-126.343	-168.9308	48	18	2	5257	1	17	13
C-D	-9.6392	10.5848	-396.421	-395.4754	149	25	25	17773	2	49	59
C-E	0.0	0.0	-0.0103	-0.0103	2	0	0	1	0	3	4
C-G	-15.4313	-35.5972	-127.88	-178.9085	51	13	2	5547	1	20	14
D-H	-8.3571	-28.3382	-129.051	-165.7463	47	21	2	5168	1	17	13

Interface residues

• A-B: ALA171A, ALA171B, ALA172A, ALA172B, ALA210A, ALA210B, ALA286A, ALA286B, ALA293A, ALA293B, ARG154B, ARG155B, ARG168A, ARG168B, ARG174A, ARG174B, ARG176A, ARG176B, ARG223B, ASN284A, ASN284B, ASP206B, ASP211A, ASP211B, ASP213A, ASP213B, ASP220A, ASP220B, ASP230A, ASP230B, ASP292A, ASP292B, CYS233A, CYS233B, CYS245A, CYS245B, GLN158B, GLN218A, GLN218B, GLN280A, GLN280B, GLU159B, GLU161A, GLU161B, GLU173A, GLU173B, GLU177A, GLU177B, GLU180A, GLU214A, GLU214B, GLU221A, GLU289A, GLU289B, GLU297A, GLU297B, GLY250A, GLY250B, HIS157B, HIS163A, HIS163B, HIS205A, HIS205B, ILE170A, ILE170B, ILE201A, ILE246A, ILE246B, ILE251A, ILE251B, ILE282A, ILE282B, ILE291A, ILE291B, LEU162A, LEU162B, LEU166A, LEU166B, LEU169A, LEU169B, LEU215A, LEU215B, LEU232A, LEU232B, LEU276A, LEU281A, LEU281B, LEU285A, LEU285B, LYS204A, LYS204B, LYS207A, LYS207B, LYS222B, LYS224A, LYS235A, LYS235B, LYS288A, LYS288B, MET209A, MET209B, MET212A, MET212B, MET241A, MET241B, MET287A, MET287B, PHE216A, PHE216B, PHE294A, PHE294B, PRO229A, PRO229B, PRO244A, PRO244B, PRO248A, PRO248B, PRO283A, PRO283B, SER160A, SER160B, SER164A, SER164B, SER217A, SER217B, SER249A, SER249B, THR167A, THR167B, THR247A, THR247B, THR252A, THR252B, THR272A, THR272B, TYR165A, TYR165B, TYR208A, TYR208B, TYR231A, TYR231B, TYR253A, TYR253B, VAL219A, VAL219B, VAL271A, VAL271B, VAL290A, VAL290B
• A-C: ALA286C, ALA46A, ARG242C, ARG255C, ARG36A, ARG41A, ASN284C, ASN35A, ASP292C, CYS245C, GLN278C, GLN33A, GLU243C, GLU259C, GLU289C, GLU32A, GLU45A, GLY34A, GLY40A, ILE282C, LEU281C, LEU285C, LEU37A, LYS256C, LYS288C, LYS42A, MET287C, PHE38A, PRO244C, PRO283C, TYR43A, VAL290C, VAL39A
• A-D: ALA46A, ALA48A, ARG273D, ARG36A, ARG52A, ASN269D, ASP230D, CYS49A, GLN33A, GLU29A, GLU32A, GLU45A, GLY250D, GLY34A, GLY40A, ILE246D, ILE251D, LEU30A, LEU37A, LYS235D, LYS42A, PHE238D, PRO248D, PRO25A, PRO270D, PRO275D, PRO44A, SER249D, SER24A, SER274D, THR247D, THR252D, THR272D, TYR231D, TYR253D, VAL271D
• A-E: ALA121A, ALA125A, ALA139A, ALA46A, ALA47A, ALA68A, ALA97A, ARG273A, ARG36A, ARG504E, ARG67A, ASN131A, ASN35A, ASN66A, ASP134A, ASP135A, ASP501E, ASP509E, CYS70A, GLN103A, GLU32A, GLU506E, GLU507E, GLY133A, GLY34A, HIS98A, ILE136A, LEU130A, LEU69A, LEU72A, LYS31A, LYS73A, LYS96A, MET505E, PHE100A, PHE132A, PHE268A, PHE38A, PHE99A, PRO137A, SER503E, SER94A, THR502E, THR65A, TYR43A, TYR50A, TYR63A, VAL265A, VAL39A, VAL508E, VAL62A, VAL95A
• B-C: ALA27B, ALA27C, ALA53B, ALA53C, ALA61B, ALA61C, ARG56B, ARG56C, ASN57B, ASN57C, ASN66B, ASP91B, ASP91C, GLN128B, GLN128C, GLN28B, GLN28C, GLN93B, GLN93C, GLU29B, GLU29C, GLU89B, GLU89C, GLY92B, GLY92C, HIS98B, HIS98C, ILE54C, LEU124B, LEU124C, LEU30C, LEU59B, LEU59C, LEU88B, LEU88C, LEU90B, LEU90C, LYS31B, LYS31C, PRO25B, PRO25C, PRO58B, PRO58C, SER24B, SER24C, SER26B, SER26C, SER94B, SER94C, THR55B, THR55C, TYR63B, TYR63C, VAL60B, VAL60C, VAL62B, VAL62C
• B-F: ALA121B, ALA125B, ALA139B, ALA46B, ALA68B, ALA97B, ARG504F, ARG67B, ASN131B, ASN35B, ASN66B, ASP134B, ASP135B, ASP501F, ASP509F, CYS70B, GLN103B, GLU32B, GLU506F, GLU507F, GLY133B, GLY34B, HIS98B, ILE136B, LEU118B, LEU130B, LEU69B, LEU72B, LYS31B, LYS73B, LYS96B, MET505F, PHE100B, PHE132B, PHE38B, PHE99B, PRO137B, SER503F, SER94B, THR502F, THR65B, TYR43B, TYR50B, TYR63B, VAL39B, VAL508F, VAL62B, VAL95B
• C-D: ALA171C, ALA171D, ALA172C, ALA172D, ALA210C, ALA210D, ALA286C, ALA286D, ALA293C, ALA293D, ARG154D, ARG155D, ARG168C, ARG168D, ARG174C, ARG174D, ARG176C, ARG176D, ARG223D, ASN284C, ASN284D, ASP211C, ASP211D, ASP213C, ASP213D, ASP220C, ASP220D, ASP230C, ASP230D, ASP292C, ASP292D, CYS233C, CYS233D, CYS245C, CYS245D, GLN158D, GLN218C, GLN218D, GLN280C, GLN280D, GLU159D, GLU161C, GLU161D, GLU173C, GLU173D, GLU177C, GLU177D, GLU180C, GLU214C, GLU214D, GLU221C, GLU289C, GLU289D, GLU297C, GLU297D, GLY250C, GLY250D, HIS157D, HIS163C, HIS163D, HIS205C, HIS205D, ILE170C, ILE170D, ILE201C, ILE246C, ILE246D, ILE251C, ILE251D, ILE282C, ILE282D, ILE291C, ILE291D, LEU162C, LEU162D, LEU166C, LEU166D, LEU169C, LEU169D, LEU215C, LEU215D, LEU232C, LEU232D, LEU276C, LEU281C, LEU281D, LEU285C, LEU285D, LYS204C, LYS204D, LYS207C, LYS207D, LYS222D, LYS224C, LYS235C, LYS235D, LYS288C, LYS288D, MET209C, MET209D, MET212C, MET212D, MET241C, MET241D, MET287C, MET287D, PHE216C, PHE216D, PHE294C, PHE294D, PRO229C, PRO229D, PRO244C, PRO244D, PRO248C, PRO248D, PRO283C, PRO283D, SER160C, SER160D, SER164C, SER164D, SER217C, SER217D, SER249C, SER249D, SER296D, THR167C, THR167D, THR247C, THR247D, THR252C, THR252D, THR272C, THR272D, TYR165C, TYR165D, TYR208C, TYR208D, TYR231C, TYR231D, TYR253C, TYR253D, VAL219C, VAL219D, VAL271C, VAL271D, VAL290C, VAL290D
• C-E: ASP501E, GLU302C
• C-G: ALA121C, ALA125C, ALA139C, ALA46C, ALA47C, ALA68C, ALA97C, ARG273C, ARG36C, ARG504G, ARG67C, ASN131C, ASN35C, ASN66C, ASP134C, ASP135C, ASP501G, ASP509G, CYS70C, GLN103C, GLU32C, GLU506G, GLU507G, GLY133C, GLY34C, HIS98C, ILE136C, LEU130C, LEU37C, LEU69C, LEU72C, LYS31C, LYS73C, LYS96C, MET505G, PHE100C, PHE132C, PHE38C, PHE99C, PRO137C, SER503G, SER94C, THR502G, THR65C, TYR43C, TYR50C, TYR63C, VAL39C, VAL508G, VAL62C, VAL95C
• D-H: ALA121D, ALA125D, ALA139D, ALA46D, ALA68D, ALA97D, ARG504H, ARG67D, ASN131D, ASN35D, ASN66D, ASP134D, ASP135D, ASP501H, ASP509H, CYS70D, GLN103D, GLU32D, GLU506H, GLU507H, GLY133D, GLY34D, HIS98D, ILE136D, LEU130D, LEU69D, LEU72D, LYS31D, LYS73D, LYS96D, MET505H, PHE100D, PHE132D, PHE38D, PHE99D, PRO137D, SER503H, SER94D, THR502H, THR65D, TYR43D, TYR50D, TYR63D, VAL39D, VAL508H, VAL62D, VAL95D