2PG8

crystal structure of r254k mutanat of dpgc with bound substrate analog

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 144
  • Norm. En. per Res.: -3.9293
• 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	-49.6714	-152.263	-363.887	-565.8214	144	34	12	16267	8	51	64
A-C	-48.1631	-110.1387	-378.061	-536.3627	145	27	9	16230	9	57	65
B-C	-38.4195	-150.7318	-323.824	-512.9752	147	28	8	15796	8	55	64

Interface residues

• A-B: ALA287B, ALA319A, ALA320A, ALA328A, ALA329A, ALA337A, ALA337B, ALA359B, ALA387B, ALA390B, ALA398B, ALA407A, ALA410A, ALA413A, ALA417A, ALA47A, ALA48A, ALA52A, ALA53A, ALA55A, ARG126A, ARG130A, ARG211B, ARG264B, ARG272B, ARG280B, ARG306B, ARG332A, ARG332B, ARG335A, ARG335B, ARG340A, ARG343A, ARG350A, ARG360B, ARG378B, ARG382B, ARG392B, ARG393B, ARG419A, ARG54A, ARG57A, ARG59A, ASN330A, ASN391B, ASN396B, ASP120A, ASP270B, ASP271B, ASP305B, ASP364B, ASP384B, ASP386B, ASP399B, ASP403A, ASP403B, ASP424A, ASP51A, ASP62A, GLN344A, GLN416A, GLU282B, GLU322A, GLU348A, GLU358A, GLU365B, GLU400A, GLU400B, GLU411A, GLY116A, GLY122A, GLY274B, GLY323A, GLY327A, GLY334A, GLY334B, GLY338A, GLY338B, GLY349A, GLY385B, GLY404A, GLY422A, HIS277B, HIS423A, HIS50A, ILE119A, ILE123A, ILE324A, ILE325A, ILE346A, LEU301B, LEU302B, LEU308B, LEU317A, LEU331A, LEU333A, LEU333B, LEU347A, LEU361A, LEU361B, LEU362B, LEU380B, LEU383B, LEU389B, LEU395B, LEU397B, LEU414A, LEU418A, LEU56A, LYS321A, MET394B, MET409A, MET415A, PHE304B, PHE336B, PHE412A, PRO273B, PRO279B, PRO284B, PRO318A, PRO326A, PRO339A, PRO357A, PRO402B, SER278B, SER342A, SER379B, SER401B, THR381B, TRP275B, TRP276B, TRP285B, TYR408A, VAL212B, VAL263B, VAL286B, VAL303B, VAL307B, VAL341A, VAL345A, VAL363B, VAL388B, VAL425A, VAL58A
• A-C: ALA287A, ALA319C, ALA320C, ALA328C, ALA329C, ALA337A, ALA337C, ALA359A, ALA387A, ALA390A, ALA398A, ALA407C, ALA410C, ALA413C, ALA417C, ALA47C, ALA48C, ALA52C, ALA53C, ALA55C, ARG126C, ARG130C, ARG211A, ARG264A, ARG272A, ARG280A, ARG306A, ARG332A, ARG332C, ARG335A, ARG335C, ARG340C, ARG343C, ARG350C, ARG360A, ARG378A, ARG382A, ARG392A, ARG393A, ARG406C, ARG419C, ARG54C, ARG57C, ARG59C, ASN330C, ASN391A, ASN396A, ASP120C, ASP270A, ASP271A, ASP305A, ASP364A, ASP384A, ASP386A, ASP399A, ASP403A, ASP403C, ASP424C, ASP51C, ASP62C, GLN344C, GLN416C, GLU282A, GLU322C, GLU348C, GLU358C, GLU365A, GLU400A, GLU400C, GLU411C, GLY122C, GLY274A, GLY323C, GLY327C, GLY334A, GLY334C, GLY338A, GLY338C, GLY349C, GLY385A, GLY404C, GLY422C, HIS277A, HIS423C, HIS50C, ILE119C, ILE123C, ILE324C, ILE325C, ILE346C, LEU300A, LEU301A, LEU302A, LEU308A, LEU317C, LEU331C, LEU333A, LEU333C, LEU347C, LEU361A, LEU361C, LEU362A, LEU380A, LEU383A, LEU389A, LEU395A, LEU397A, LEU414C, LEU418C, LEU56C, LYS321C, MET394A, MET409C, MET415C, PHE304A, PHE336A, PHE405C, PHE412C, PRO273A, PRO279A, PRO284A, PRO318C, PRO326C, PRO339C, PRO402A, SER278A, SER342C, SER379A, SER401A, THR381A, TRP275A, TRP276A, TRP285A, TYR408C, VAL212A, VAL263A, VAL286A, VAL303A, VAL307A, VAL341C, VAL345C, VAL363A, VAL388A, VAL425C, VAL58C
• B-C: ALA287C, ALA298C, ALA319B, ALA320B, ALA328B, ALA329B, ALA337B, ALA337C, ALA359C, ALA387C, ALA390C, ALA398C, ALA407B, ALA410B, ALA413B, ALA417B, ALA47B, ALA48B, ALA52B, ALA53B, ALA55B, ARG126B, ARG130B, ARG211C, ARG264C, ARG272C, ARG280C, ARG306C, ARG332B, ARG332C, ARG335B, ARG335C, ARG340B, ARG343B, ARG350B, ARG360C, ARG378C, ARG382C, ARG392C, ARG393C, ARG406B, ARG419B, ARG54B, ARG57B, ARG59B, ASN330B, ASN391C, ASN396C, ASP120B, ASP270C, ASP305C, ASP364C, ASP384C, ASP386C, ASP399C, ASP403B, ASP403C, ASP424B, ASP51B, ASP62B, GLN344B, GLN416B, GLU282C, GLU322B, GLU348B, GLU358B, GLU365C, GLU400C, GLU411B, GLY116B, GLY122B, GLY274C, GLY323B, GLY327B, GLY334B, GLY334C, GLY338B, GLY338C, GLY349B, GLY385C, GLY404B, GLY422B, HIS277C, HIS423B, HIS50B, ILE119B, ILE123B, ILE324B, ILE325B, ILE346B, LEU300C, LEU301C, LEU302C, LEU308C, LEU317B, LEU331B, LEU333B, LEU333C, LEU347B, LEU361B, LEU361C, LEU362C, LEU380C, LEU383C, LEU389C, LEU395C, LEU397C, LEU414B, LEU418B, LEU56B, LYS321B, MET394C, MET409B, MET415B, PHE124B, PHE304C, PHE336C, PHE405B, PHE412B, PRO273C, PRO279C, PRO284C, PRO318B, PRO326B, PRO339B, PRO357B, PRO402C, SER278C, SER342B, SER379C, SER401C, THR381C, TRP275C, TRP276C, TRP285C, TYR408B, VAL212C, VAL263C, VAL286C, VAL303C, VAL307C, VAL341B, VAL345B, VAL363C, VAL388C, VAL425B, VAL58B