2OT1

fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with naphthol as-e phosphate, a competitive inhibitor

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 167
  • Norm. En. per Res.: -3.5771
• 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	-86.9196	-15.1846	-305.692	-407.7962	123	12	3	10862	2	36	27
A-C	0.0	1.204	-4.7076	-3.5036	28	1	1	395	0	6	10
A-D	-87.8094	-67.3427	-430.925	-586.077	166	29	0	17391	3	41	62
B-C	-102.8657	-57.8629	-436.642	-597.3707	167	24	0	17684	2	42	62
B-D	0.0	-3.6691	-4.3451	-8.0142	26	0	1	404	0	5	9
C-D	-81.2911	-18.5506	-306.021	-405.8627	123	15	3	10909	2	36	28

Interface residues

• A-B: ALA116A, ALA116B, ALA160A, ALA160B, ALA162A, ALA162B, ALA167A, ALA167B, ALA171A, ALA171B, ALA174A, ALA174B, ALA215A, ALA215B, ALA6A, ALA6B, ARG133A, ARG133B, ARG172A, ARG172B, ASN119A, ASN119B, ASN166A, ASN166B, ASN168A, ASN168B, ASN180B, ASP109A, ASP109B, ASP128A, ASP128B, ASP218A, ASP218B, GLN125A, GLN125B, GLN178A, GLN178B, GLN179A, GLN179B, GLU121A, GLU121B, GLU132A, GLU132B, GLU155A, GLU155B, GLU165A, GLU165B, GLY117A, GLY117B, GLY120A, GLY120B, GLY126A, GLY126B, GLY129A, GLY129B, HIS156A, HIS156B, HIS219A, HIS219B, HIS220A, HIS220B, HIS2A, HIS2B, HIS4A, HIS4B, ILE176A, ILE176B, ILE221A, ILE221B, LEU115A, LEU115B, LEU127A, LEU127B, LEU130A, LEU130B, LEU161A, LEU161B, LEU216A, LEU216B, LEU7A, LEU7B, LYS110A, LYS110B, LYS214A, LYS214B, MET164A, MET164B, PRO114A, PRO114B, PRO1A, PRO1B, PRO5A, PRO5B, SER131A, SER131B, SER159A, SER159B, SER175A, SER175B, SER217A, SER217B, SER3A, SER3B, THR118A, THR118B, THR122A, THR122B, THR123A, THR123B, THR124A, THR124B, THR157A, THR157B, TRP147A, TRP147B, VAL108A, VAL108B, VAL112A, VAL112B, VAL113A, VAL113B, VAL169A, VAL169B
• A-C: ALA160A, ALA160C, ARG200A, ARG200C, GLU155A, GLU155C, GLY117A, GLY117C, GLY154A, GLY154C, HIS156A, HIS156C, HIS2A, HIS2C, ILE163A, ILE163C, LEU161A, LEU161C, LYS207A, LYS207C, PRO1A, PRO1C, SER159A, SER159C, THR118A, THR118C, TYR203A, TYR203C
• A-D: ALA160A, ALA160D, ALA162A, ALA162D, ALA167A, ALA167D, ALA210A, ALA210D, ALA211A, ALA211D, ALA215A, ALA215D, ALA255A, ALA255D, ALA263A, ALA263D, ALA362A, ALA362D, ALA6A, ALA6D, ARG200A, ARG200D, ARG257A, ARG257D, ARG258A, ARG258D, ASN360A, ASN360D, ASP17A, ASP17D, ASP197A, ASP197D, ASP218A, ASP218D, GLN11A, GLN11D, GLN202A, GLN202D, GLU10A, GLU10D, GLU14A, GLU14D, GLU155A, GLU155D, GLU206A, GLU206D, GLU224A, GLU224D, GLY154A, GLY154D, GLY225A, GLY225D, HIS156A, HIS156D, HIS196A, HIS196D, HIS20A, HIS20D, HIS219A, HIS219D, HIS220A, HIS220D, HIS2A, HIS2D, HIS361A, HIS361D, HIS4A, HIS4D, ILE153A, ILE153D, ILE163A, ILE163D, ILE190A, ILE221A, ILE221D, LEU151A, LEU151D, LEU15A, LEU15D, LEU209A, LEU209D, LEU216A, LEU216D, LEU223A, LEU223D, LEU256A, LEU256D, LEU291A, LEU291D, LEU292A, LEU292D, LEU7A, LEU7D, LYS12A, LYS12D, LYS13A, LYS13D, LYS152A, LYS152D, LYS199A, LYS199D, LYS207A, LYS207D, LYS214A, LYS214D, LYS293A, LYS293D, MET164A, MET164D, PRO158A, PRO158D, PRO1A, PRO1D, PRO261A, PRO261D, PRO262A, PRO262D, PRO294A, PRO294D, PRO5A, PRO5D, PRO9A, PRO9D, SER159A, SER159D, SER16A, SER16D, SER217A, SER217D, SER359D, SER3A, SER3D, THR157A, THR157D, THR205A, THR205D, THR254A, THR254D, THR259A, THR259D, THR265A, THR265D, THR8A, THR8D, TRP295A, TRP295D, TYR203A, TYR203D, TYR213A, TYR213D, TYR222A, TYR222D, TYR363A, TYR363D, VAL204A, VAL204D, VAL208A, VAL208D, VAL212A, VAL212D, VAL253A, VAL253D, VAL260A, VAL260D, VAL264A, VAL264D
• B-C: ALA160B, ALA160C, ALA162C, ALA167B, ALA167C, ALA210B, ALA210C, ALA211B, ALA211C, ALA215B, ALA215C, ALA255B, ALA255C, ALA263B, ALA263C, ALA296B, ALA296C, ALA362B, ALA362C, ALA6B, ALA6C, ARG200B, ARG200C, ARG257B, ARG257C, ARG258B, ARG258C, ASN360B, ASN360C, ASP17B, ASP17C, ASP197B, ASP197C, ASP218B, ASP218C, GLN11B, GLN11C, GLN202B, GLN202C, GLU10B, GLU10C, GLU121B, GLU14B, GLU14C, GLU155B, GLU155C, GLU206B, GLU206C, GLU224B, GLU224C, GLY154B, GLY154C, GLY225B, GLY225C, HIS156B, HIS156C, HIS196B, HIS196C, HIS20B, HIS20C, HIS219B, HIS219C, HIS220B, HIS220C, HIS2B, HIS2C, HIS361B, HIS361C, HIS4B, HIS4C, ILE153B, ILE153C, ILE163B, ILE163C, ILE190C, ILE221B, ILE221C, LEU151C, LEU15B, LEU15C, LEU209B, LEU209C, LEU216B, LEU216C, LEU223B, LEU223C, LEU256B, LEU256C, LEU291B, LEU291C, LEU292B, LEU292C, LEU7B, LEU7C, LYS12B, LYS12C, LYS13B, LYS13C, LYS152B, LYS152C, LYS199B, LYS199C, LYS207B, LYS207C, LYS214B, LYS214C, LYS293B, LYS293C, MET164B, MET164C, PRO158B, PRO158C, PRO1B, PRO1C, PRO261B, PRO261C, PRO262B, PRO262C, PRO294B, PRO294C, PRO5B, PRO5C, PRO9B, PRO9C, SER159B, SER159C, SER16B, SER16C, SER217B, SER217C, SER359B, SER359C, SER3B, SER3C, THR157B, THR157C, THR205C, THR254B, THR254C, THR259B, THR259C, THR265B, THR265C, THR8B, THR8C, TRP295B, TRP295C, TYR203B, TYR203C, TYR213B, TYR213C, TYR222B, TYR222C, TYR363B, TYR363C, VAL204B, VAL204C, VAL208B, VAL208C, VAL212B, VAL212C, VAL253B, VAL253C, VAL260B, VAL260C, VAL264B, VAL264C
• B-D: ALA160B, ALA160D, ARG200B, ARG200D, GLU155B, GLU155D, GLY117B, GLY117D, GLY154B, GLY154D, HIS156B, HIS156D, HIS2B, HIS2D, ILE163B, ILE163D, LEU161B, LEU161D, LYS207B, LYS207D, SER159B, SER159D, THR118B, THR118D, TYR203B, TYR203D
• C-D: ALA116C, ALA116D, ALA160C, ALA160D, ALA162C, ALA162D, ALA167C, ALA167D, ALA171C, ALA171D, ALA174C, ALA174D, ALA215C, ALA215D, ALA6C, ALA6D, ARG133C, ARG133D, ARG172C, ARG172D, ASN119C, ASN119D, ASN166C, ASN166D, ASN168C, ASN168D, ASN180C, ASP109C, ASP109D, ASP128C, ASP128D, ASP218C, ASP218D, GLN125C, GLN125D, GLN178C, GLN178D, GLN179C, GLN179D, GLU121C, GLU121D, GLU132C, GLU132D, GLU155C, GLU155D, GLU165C, GLU165D, GLY117C, GLY117D, GLY120C, GLY120D, GLY126C, GLY126D, GLY129C, GLY129D, HIS156C, HIS156D, HIS219C, HIS219D, HIS220C, HIS220D, HIS2C, HIS2D, HIS4C, HIS4D, ILE176C, ILE176D, ILE221C, ILE221D, LEU115C, LEU115D, LEU127C, LEU127D, LEU130C, LEU130D, LEU161C, LEU161D, LEU216C, LEU216D, LEU7C, LEU7D, LYS110C, LYS110D, LYS214C, LYS214D, MET164C, MET164D, PRO114C, PRO114D, PRO1C, PRO1D, PRO5C, PRO5D, SER131C, SER131D, SER159C, SER159D, SER175C, SER175D, SER217C, SER217D, SER3C, SER3D, THR118C, THR118D, THR122C, THR122D, THR123C, THR123D, THR124C, THR124D, THR157C, THR157D, TRP147C, TRP147D, VAL108C, VAL108D, VAL112C, VAL112D, VAL113C, VAL113D, VAL169C, VAL169D