1P8S

structural and functional importance of first-shell metal ligands in the binuclear manganese cluster of arginase i.

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 92
  • Norm. En. per Res.: -3.5402
• Hub Node: A(2)

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	-28.7489	-35.672	-267.555	-331.9759	99	12	3	10391	7	52	47
A-C	-28.9358	-42.1272	-236.747	-307.81	96	7	2	9484	7	51	44
B-C	-25.3123	-49.4915	-250.896	-325.6998	92	17	2	9910	8	52	43

Interface residues

• A-B: ALA125B, ALA146B, ALA298A, ARG180B, ARG255A, ARG255B, ARG291A, ARG308A, ASN130B, ASN294A, ASN311A, ASP181B, ASP183B, ASP204B, ASP237B, ASP317A, GLU151B, GLU186B, GLU202B, GLU213A, GLU256A, GLU256B, GLU262A, GLU263A, GLU287A, GLU309A, GLU315A, GLY154B, GLY178B, GLY185B, GLY207A, GLY207B, GLY209A, GLY235B, GLY250B, GLY251B, GLY257A, GLY257B, GLY310A, HIS126B, HIS187B, HIS312A, ILE129B, ILE189B, ILE190B, ILE208A, ILE208B, ILE260A, LEU133B, LEU152B, LEU179B, LEU193B, LEU206A, LEU206B, LEU236B, LEU252B, LEU258A, LEU319A, LYS155B, LYS191B, LYS205B, LYS210A, LYS266A, LYS284B, LYS307A, LYS313A, MET200B, MET212A, PHE156B, PHE198B, PHE240A, PHE240B, PRO132B, PRO184B, PRO314A, SER199B, SER253A, SER253B, THR127B, THR131B, THR134B, THR192B, THR201B, THR295A, THR306A, THR316A, TYR188B, TYR197B, TYR254A, TYR254B, TYR259A, TYR318A, VAL182B, VAL203B, VAL211A, VAL239A, VAL239B, VAL248B, VAL249B
• A-C: ALA125A, ALA298C, ARG180A, ARG255A, ARG255C, ARG291C, ARG308C, ASN130A, ASN294C, ASN311C, ASP181A, ASP183A, ASP204A, ASP237A, ASP317C, GLU151A, GLU186A, GLU202A, GLU213C, GLU256A, GLU256C, GLU262C, GLU263C, GLU287C, GLU309C, GLU315C, GLY154A, GLY178A, GLY185A, GLY207A, GLY207C, GLY209C, GLY235A, GLY250A, GLY251A, GLY257C, GLY310C, HIS187A, HIS312C, ILE129A, ILE189A, ILE190A, ILE208A, ILE208C, ILE260C, LEU133A, LEU152A, LEU179A, LEU193A, LEU206A, LEU206C, LEU236A, LEU252A, LEU258C, LEU319C, LYS155A, LYS191A, LYS205A, LYS210C, LYS266C, LYS284A, LYS307C, LYS313C, MET200A, MET212C, PHE156A, PHE198A, PHE240A, PHE240C, PRO184A, PRO238A, PRO314C, SER199A, SER253A, SER253C, THR127A, THR131A, THR134A, THR192A, THR201A, THR295C, THR316C, TYR188A, TYR197A, TYR254A, TYR254C, TYR259C, TYR318C, VAL182A, VAL203A, VAL211A, VAL211C, VAL239A, VAL239C, VAL248A, VAL249A
• B-C: ALA125C, ALA298B, ARG180C, ARG255B, ARG291B, ARG308B, ASN294B, ASN311B, ASP181C, ASP183C, ASP204C, ASP237C, ASP317B, GLU151C, GLU186C, GLU202C, GLU213B, GLU256B, GLU256C, GLU262B, GLU263B, GLU287B, GLU309B, GLU315B, GLY154C, GLY178C, GLY185C, GLY207B, GLY207C, GLY209B, GLY235C, GLY250C, GLY251C, GLY257B, GLY310B, HIS187C, HIS312B, ILE189C, ILE190C, ILE208B, ILE208C, ILE260B, LEU133C, LEU152C, LEU179C, LEU193C, LEU206B, LEU206C, LEU236C, LEU252C, LEU258B, LEU319B, LYS155C, LYS191C, LYS205C, LYS210B, LYS266B, LYS284C, LYS307B, LYS313B, MET200C, MET212B, PHE156C, PHE198C, PHE240B, PHE240C, PRO184C, PRO238C, PRO314B, SER199C, SER253B, SER253C, THR127C, THR131C, THR134C, THR192C, THR201C, THR295B, THR306B, THR316B, TYR188C, TYR197C, TYR254B, TYR254C, TYR259B, TYR318B, VAL182C, VAL203C, VAL239B, VAL239C, VAL248C, VAL249C