3PIF

crystal structure of the 5'->3' exoribonuclease xrn1, e178q mutant in complex with manganese

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 127
  • Norm. En. per Res.: -3.3152
• 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	15.2561	-39.4205	-24.1643	47	6	0	2015	0	21	24
A-C	-59.706	-92.1334	-269.189	-421.0284	127	20	2	11537	11	62	46
A-D	0.0	10.1598	-15.4254	-5.2656	34	0	0	784	1	22	19
B-D	-46.9613	-66.4476	-246.852	-360.2609	123	13	2	11181	7	62	39

Interface residues

• A-B: ALA115A, ALA655A, ARG103A, ARG599A, ARG651A, ARG708B, ASN625A, ASN682B, ASP518A, ASP621A, ASP648A, ASP676B, ASP686B, GLN584B, GLN684B, GLU109A, GLU598A, GLU626A, GLU707B, GLU709B, GLY674B, ILE678B, ILE680B, ILE706B, ILE711B, LEU677B, LYS110A, LYS114A, LYS148B, LYS517A, LYS668B, LYS669B, LYS690B, MET106A, PHE622A, PHE673B, PHE710B, PRO624A, PRO683B, PRO712B, SER645A, SER672B, THR675B, THR687B, TYR623A, VAL627A, VAL685B
• A-C: ALA1142A, ALA1142C, ALA393A, ALA393C, ALA413A, ALA413C, ALA445A, ALA445C, ARG1146A, ARG1146C, ARG404A, ARG949A, ARG949C, ASN717A, ASN717C, ASN918A, ASN918C, ASN945A, ASN945C, ASP193A, ASP193C, ASP412A, ASP412C, ASP414A, ASP414C, ASP422A, ASP422C, ASP451A, ASP451C, ASP942A, ASP942C, GLN191A, GLN191C, GLU192A, GLU192C, GLU416A, GLU416C, GLU421A, GLU421C, GLU716A, GLU716C, GLU913A, GLU913C, GLU920A, GLU947A, GLU947C, GLY943A, GLY943C, HIS446A, HIS446C, ILE417A, ILE417C, ILE917A, ILE917C, LEU420A, LEU420C, LEU452A, LEU452C, LEU721A, LEU721C, LEU915A, LEU915C, LEU950A, LEU950C, LYS1140A, LYS1143A, LYS1143C, LYS400A, LYS400C, LYS423A, LYS423C, LYS448A, LYS448C, LYS450A, LYS450C, LYS456A, LYS456C, LYS719A, LYS719C, LYS726A, LYS726C, LYS919A, LYS919C, LYS923A, LYS923C, LYS951A, LYS951C, MET715A, MET715C, PHE415A, PHE415C, PHE418A, PHE418C, PHE455A, PHE720A, PHE720C, PRO419A, PRO419C, PRO914A, PRO914C, PRO916A, PRO916C, PRO922A, PRO922C, SER447A, SER447C, SER449A, SER449C, SER714A, SER714C, SER946A, SER946C, THR401A, THR948A, THR948C, TRP397A, TRP397C, TYR453A, TYR453C, TYR454A, TYR454C, TYR944A, TYR944C, VAL1144A, VAL1144C, VAL718A, VAL718C
• A-D: ALA333D, ARG560D, ARG651D, ASN577D, ASP321D, ASP528D, ASP575D, ASP666A, GLN576D, GLU138A, GLU145A, GLU532D, GLU654D, GLY695A, ILE571D, ILE574D, LEU530D, LYS531D, LYS650D, LYS662A, LYS669A, LYS690A, MET533D, PRO1133A, PRO665A, SER1131A, SER336D, SER529D, SER664A, THR527D, THR691A, TYR561D, TYR689A, VAL688A
• B-D: ALA1142B, ALA1142D, ALA190B, ALA413B, ALA413D, ALA445B, ALA445D, ARG1146D, ARG404B, ARG404D, ARG949B, ARG949D, ASN717B, ASN717D, ASN918B, ASN918D, ASN945B, ASN945D, ASP193B, ASP193D, ASP412B, ASP412D, ASP414B, ASP414D, ASP422B, ASP422D, ASP451B, ASP451D, ASP942B, ASP942D, GLN191B, GLN191D, GLU192B, GLU192D, GLU416B, GLU416D, GLU421B, GLU421D, GLU716B, GLU716D, GLU913B, GLU913D, GLU920D, GLU947B, GLU947D, GLY943B, GLY943D, HIS446B, HIS446D, ILE417B, ILE417D, ILE917B, ILE917D, LEU420B, LEU420D, LEU452B, LEU452D, LEU457B, LEU721B, LEU721D, LEU915B, LEU915D, LEU950B, LEU950D, LYS1140B, LYS1143B, LYS1143D, LYS400B, LYS400D, LYS423B, LYS423D, LYS448B, LYS448D, LYS450B, LYS450D, LYS456B, LYS456D, LYS719B, LYS719D, LYS726B, LYS726D, LYS919B, LYS919D, LYS923B, LYS923D, LYS951B, LYS951D, MET715B, MET715D, PHE415B, PHE415D, PHE418B, PHE418D, PHE720B, PHE720D, PRO419B, PRO419D, PRO914B, PRO914D, PRO916B, PRO916D, SER408B, SER447B, SER447D, SER449B, SER449D, SER946B, SER946D, THR401B, THR948B, THR948D, TRP397B, TRP397D, TYR453B, TYR453D, TYR454B, TYR454D, TYR944B, TYR944D, VAL1144B, VAL1144D, VAL718B, VAL718D