3LG2

a ykr043c/ fructose-1,6-bisphosphate product complex following ligand soaking

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 217
  • Norm. En. per Res.: -3.376
• 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	-108.5016	62.4393	-641.045	-687.1073	224	17	24	24219	2	48	50
A-C	-2.972	-8.1783	-45.5881	-56.7384	66	10	1	3222	3	42	36
C-D	-135.36	54.2445	-651.472	-732.5876	217	30	24	24509	3	49	49

Interface residues

• A-B: ALA179A, ALA179B, ALA184A, ALA184B, ALA185A, ALA185B, ALA234A, ALA234B, ALA243A, ALA243B, ALA251A, ALA251B, ALA255A, ALA255B, ARG111A, ARG111B, ARG12A, ARG12B, ARG181A, ARG181B, ARG222A, ARG222B, ARG42A, ARG42B, ARG49A, ARG49B, ARG69A, ARG69B, ARG7A, ARG7B, ASN129A, ASN129B, ASN227A, ASN227B, ASN246B, ASN50A, ASN50B, ASP233A, ASP233B, ASP270A, ASP270B, CYS229A, CYS229B, GLN15A, GLN15B, GLN23A, GLN23B, GLN267A, GLN267B, GLN39A, GLN39B, GLN52A, GLN52B, GLU112A, GLU112B, GLU17A, GLU249A, GLU249B, GLU253A, GLU253B, GLU263A, GLU263B, GLU264A, GLU264B, GLU265A, GLU265B, GLU37A, GLU45A, GLU45B, GLU99A, GLU99B, GLY107A, GLY14A, GLY14B, GLY177A, GLY177B, GLY189A, GLY189B, GLY191A, GLY191B, GLY22A, GLY22B, GLY235A, GLY235B, GLY236A, GLY236B, GLY238A, GLY238B, GLY256A, GLY256B, GLY269A, GLY269B, GLY26A, GLY26B, GLY36A, GLY36B, GLY38A, GLY38B, GLY44A, GLY44B, HIS13A, HIS13B, HIS176A, HIS176B, HIS178A, HIS178B, HIS244A, HIS244B, HIS245A, HIS245B, HIS268A, HIS268B, ILE10A, ILE10B, ILE113A, ILE113B, ILE114A, ILE114B, ILE130A, ILE130B, ILE237A, ILE237B, LEU109A, LEU109B, LEU180A, LEU180B, LEU190A, LEU190B, LEU231A, LEU231B, LEU232A, LEU232B, LEU240A, LEU240B, LEU252A, LEU252B, LEU254A, LEU254B, LEU41A, LEU41B, LYS20A, LYS20B, PHE183A, PHE183B, PHE188A, PHE188B, PHE230A, PHE230B, PHE258A, PHE258B, PHE48A, PHE48B, PHE53A, PHE53B, PRO127A, PRO127B, PRO228A, PRO228B, PRO250A, PRO250B, PRO257A, PRO257B, PRO261A, PRO261B, PRO262A, PRO262B, PRO6A, PRO6B, SER19A, SER19B, SER21A, SER21B, SER241A, SER241B, SER260A, SER260B, SER266A, SER266B, SER46A, SER46B, THR110A, THR110B, THR16A, THR16B, THR25A, THR25B, THR33A, THR33B, THR43A, THR43B, THR5A, THR5B, TRP100A, TRP100B, TRP128A, TRP128B, TRP131A, TRP131B, TRP187A, TRP187B, TRP18A, TRP18B, TYR102A, TYR102B, TYR182A, TYR182B, TYR242A, TYR242B, TYR24A, TYR24B, TYR35A, TYR35B, VAL11A, VAL11B, VAL239A, VAL239B, VAL259A, VAL259B, VAL271A, VAL271B, VAL47A, VAL47B, VAL77A, VAL77B
• A-C: ARG117A, ARG117C, ARG120A, ARG120C, ARG126A, ARG126C, ARG132C, ASN129C, ASN137A, ASN137C, ASP104A, ASP123C, ASP133A, ASP133C, ASP226C, CYS135A, CYS135C, CYS196A, GLN142A, GLN142C, GLN143A, GLN143C, GLN203A, GLU125C, GLU136A, GLU136C, GLU139A, GLU139C, GLU197A, GLU197C, GLU200A, GLU200C, GLU201A, GLU201C, GLU219A, GLY121C, GLY134A, GLY134C, GLY138A, HIS223C, ILE144C, ILE199A, ILE199C, ILE202A, LEU122A, LEU122C, LEU218A, LEU224C, LYS118C, LYS124C, LYS194A, LYS194C, LYS195A, LYS217A, SER119C, SER220A, THR140A, THR140C, THR141C, THR198A, THR198C, TRP131C, TYR105A, TYR221C, VAL192C, VAL225C
• C-D: ALA179C, ALA179D, ALA184C, ALA184D, ALA185C, ALA185D, ALA234C, ALA234D, ALA243C, ALA243D, ALA251C, ALA251D, ALA255C, ALA255D, ARG111C, ARG111D, ARG12C, ARG12D, ARG181C, ARG181D, ARG42C, ARG42D, ARG49C, ARG49D, ARG69D, ARG7C, ARG7D, ASN129C, ASN129D, ASN227C, ASN227D, ASN246C, ASN246D, ASN50C, ASN50D, ASP233C, ASP233D, ASP270C, ASP270D, CYS229C, CYS229D, GLN15C, GLN15D, GLN23C, GLN23D, GLN267C, GLN267D, GLN39C, GLN39D, GLN52C, GLN52D, GLU112C, GLU112D, GLU17D, GLU249C, GLU249D, GLU253C, GLU253D, GLU263C, GLU263D, GLU264C, GLU264D, GLU265C, GLU265D, GLU45C, GLU45D, GLU99C, GLU99D, GLY14C, GLY14D, GLY177C, GLY177D, GLY189C, GLY189D, GLY191C, GLY191D, GLY22C, GLY22D, GLY235C, GLY235D, GLY236C, GLY236D, GLY238C, GLY238D, GLY256C, GLY256D, GLY269C, GLY269D, GLY26C, GLY26D, GLY36C, GLY36D, GLY38C, GLY38D, GLY44C, GLY44D, HIS13C, HIS13D, HIS176C, HIS176D, HIS178C, HIS178D, HIS244C, HIS244D, HIS245C, HIS245D, HIS268C, HIS268D, ILE10C, ILE10D, ILE113C, ILE113D, ILE114C, ILE114D, ILE130C, ILE130D, ILE237C, ILE237D, LEU109C, LEU109D, LEU180C, LEU180D, LEU190C, LEU190D, LEU231C, LEU231D, LEU232C, LEU232D, LEU240C, LEU240D, LEU252C, LEU252D, LEU254C, LEU254D, LEU41C, LEU41D, LYS20C, LYS20D, PHE183C, PHE183D, PHE188C, PHE188D, PHE230C, PHE230D, PHE258C, PHE258D, PHE48C, PHE48D, PHE53C, PHE53D, PRO127C, PRO127D, PRO228C, PRO228D, PRO250C, PRO250D, PRO257C, PRO257D, PRO261C, PRO261D, PRO262C, PRO262D, PRO6D, SER19C, SER19D, SER21C, SER21D, SER241C, SER241D, SER260C, SER260D, SER266C, SER266D, SER46C, SER46D, THR110C, THR110D, THR16C, THR16D, THR25C, THR25D, THR33C, THR33D, THR43C, THR43D, THR5C, THR5D, TRP100C, TRP100D, TRP128C, TRP128D, TRP131C, TRP131D, TRP187C, TRP187D, TRP18C, TRP18D, TYR102C, TYR102D, TYR182C, TYR182D, TYR242C, TYR242D, TYR24C, TYR24D, TYR35C, TYR35D, VAL11C, VAL11D, VAL239C, VAL239D, VAL259C, VAL259D, VAL271C, VAL271D, VAL47C, VAL47D