3B6P

structure of trex1 in complex with a nucleotide and inhibitor ions (sodium and zinc)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 154
  • Norm. En. per Res.: -5.9412
• 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	-5.261	-23.0642	-28.3252	26	0	0	1010	0	5	2
A-C	-177.2766	-211.9371	-525.735	-914.9487	154	33	12	20237	18	66	41
A-D	-28.4891	6.8868	-68.9295	-90.5317	38	7	0	2604	0	11	11
B-D	-172.1335	-191.0956	-533.114	-896.343	155	32	11	20430	18	65	40
C-D	0.0	0.0	-2.891	-2.891	6	0	0	117	0	1	1

Interface residues

• A-B: ALA76A, ALA81A, ALA90B, ARG28A, CYS77A, GLN95B, GLU83A, GLU83B, GLU91B, GLU93B, GLY80A, GLY80B, LEU24A, LEU92B, LYS75A, LYS89B, PRO25A, PRO79A, PRO79B, SER26A, SER27A, SER78A, SER82A, SER82B, SER88B, VAL94B
• A-C: ALA105A, ALA105C, ALA110A, ALA110C, ALA197A, ALA197C, ALA38A, ALA38C, ALA43A, ALA43C, ALA72A, ALA72C, ALA90A, ARG109A, ARG109C, ARG114A, ARG114C, ARG41A, ARG41C, ARG42A, ARG42C, ARG59A, ARG59C, ARG62A, ARG62C, ARG97A, ARG97C, ARG99A, ARG99C, ASN103A, ASN103C, ASN46A, ASN46C, ASP101A, ASP101C, ASP102A, ASP102C, ASP193A, ASP193C, ASP200A, ASP200C, ASP65A, ASP65C, CYS119A, CYS35A, CYS35C, CYS70A, CYS70C, GLN113A, GLN113C, GLN115A, GLN115C, GLN117A, GLN117C, GLN12A, GLN12C, GLN95A, GLN95C, GLN98A, GLN98C, GLU198A, GLU198C, GLU20A, GLU20C, GLU33A, GLU33C, GLU91A, GLU91C, GLU93A, GLU93C, GLY199A, GLY199C, GLY86A, GLY86C, GLY96A, GLY96C, HIS195A, HIS195C, HIS40A, HIS40C, ILE106A, ILE106C, ILE15C, ILE71A, ILE71C, ILE84A, ILE84C, LEU104A, LEU104C, LEU107A, LEU107C, LEU108A, LEU108C, LEU112A, LEU112C, LEU14A, LEU14C, LEU202A, LEU202C, LEU34A, LEU34C, LEU36A, LEU36C, LEU37A, LEU37C, LEU44A, LEU44C, LEU67A, LEU67C, LEU69A, LEU69C, LEU87A, LEU87C, LEU92A, LEU92C, LYS66A, LYS66C, PHE100A, PHE100C, PHE111A, PHE111C, PRO116A, PRO116C, PRO60A, PRO60C, PRO61A, PRO61C, SER194A, SER194C, SER68A, SER68C, SER82A, SER82C, SER88A, SER88C, THR13A, THR13C, THR192A, THR196A, THR196C, THR32A, THR32C, THR85A, THR85C, VAL31A, VAL31C, VAL39A, VAL39C, VAL63A, VAL63C, VAL64A, VAL64C, VAL94A, VAL94C
• A-D: ALA214D, ALA43D, ALA72A, ALA76A, ALA90A, ARG41D, ARG42D, ARG59D, ARG97A, ARG99A, ASN46D, CYS77A, GLN213D, GLN217D, GLN51D, GLN95A, GLN98A, GLU45D, GLU91A, GLU93A, GLY74A, GLY96A, ILE49D, LEU216D, LEU44D, LEU92A, LYS75A, LYS89A, PRO212D, PRO56D, PRO73A, PRO79A, SER48D, SER50D, SER82A, SER88A, THR47D, VAL94A
• B-D: ALA105B, ALA105D, ALA110B, ALA110D, ALA197B, ALA197D, ALA38B, ALA38D, ALA43B, ALA43D, ALA72B, ALA72D, ALA90B, ALA90D, ARG109B, ARG109D, ARG114B, ARG114D, ARG41B, ARG41D, ARG42B, ARG42D, ARG59B, ARG59D, ARG62B, ARG62D, ARG97B, ARG97D, ARG99B, ARG99D, ASN103B, ASN103D, ASN46B, ASN46D, ASP101B, ASP101D, ASP102B, ASP102D, ASP193B, ASP193D, ASP200B, ASP200D, ASP65B, ASP65D, CYS119D, CYS35B, CYS35D, CYS70B, CYS70D, GLN113B, GLN113D, GLN115B, GLN115D, GLN117B, GLN117D, GLN12B, GLN12D, GLN95B, GLN95D, GLN98B, GLN98D, GLU198B, GLU198D, GLU20B, GLU20D, GLU33B, GLU33D, GLU91B, GLU91D, GLU93B, GLU93D, GLY199B, GLY199D, GLY86B, GLY86D, GLY96B, GLY96D, HIS195B, HIS195D, HIS40B, HIS40D, ILE106B, ILE106D, ILE15B, ILE71B, ILE71D, ILE84B, ILE84D, LEU104B, LEU104D, LEU107B, LEU107D, LEU108B, LEU108D, LEU112B, LEU112D, LEU141D, LEU14B, LEU14D, LEU202B, LEU202D, LEU34B, LEU34D, LEU36B, LEU36D, LEU37B, LEU37D, LEU44B, LEU44D, LEU67B, LEU67D, LEU69B, LEU69D, LEU87B, LEU87D, LEU92B, LEU92D, LYS66B, LYS66D, PHE100B, PHE100D, PHE111B, PHE111D, PRO116B, PRO116D, PRO60B, PRO60D, PRO61B, PRO61D, SER194B, SER194D, SER68B, SER68D, SER82B, SER82D, SER88B, SER88D, THR13B, THR13D, THR196B, THR196D, THR32B, THR32D, THR85B, THR85D, VAL31B, VAL31D, VAL39B, VAL39D, VAL63B, VAL63D, VAL64B, VAL64D, VAL94B, VAL94D
• C-D: ALA214D, ARG42C, GLN213D, GLN217D, GLU221D, GLY9D