2YW3

crystal structure analysis of the 4-hydroxy-2-oxoglutarate aldolase/2- deydro-3-deoxyphosphogluconate aldolase from tthb1

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 79
  • Norm. En. per Res.: -3.9216
• 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	-17.7396	-90.3528	-186.61	-294.7023	77	9	0	8189	7	19	15
A-C	-13.8884	-64.2024	-189.968	-268.0588	80	11	0	8276	5	19	15
A-E	0.0	75.7139	-113.598	-37.8841	44	2	8	5079	0	13	13
B-C	-19.3243	-97.0632	-193.418	-309.8055	79	7	0	8099	7	19	17
B-F	-7.1302	75.0449	-108.794	-40.8793	44	4	8	5088	0	12	13
C-D	0.0	63.9254	-100.436	-36.5106	44	2	8	5214	0	12	13
D-E	-24.9286	-59.7325	-180.172	-264.8331	75	7	0	7645	7	17	15
D-F	-17.2141	-25.5591	-165.888	-208.6612	74	8	0	7330	5	15	15
E-F	-33.9955	-42.3403	-181.894	-258.2298	73	10	0	7743	5	16	14

Interface residues

• A-B: ALA120B, ALA122A, ALA133B, ALA144A, ALA146A, ARG119A, ARG119B, ARG140A, ARG143A, ARG22B, ARG47B, ARG71B, GLN137A, GLN137B, GLU116A, GLU116B, GLU118A, GLU134B, GLU147A, GLU151A, GLU94B, GLY110B, GLY138A, GLY138B, GLY158B, GLY159B, GLY68B, GLY91B, HIS164B, ILE160B, LEU112A, LEU112B, LEU121A, LEU142A, LEU18B, LEU46B, LEU92B, LEU93B, LYS161B, PHE130A, PHE130B, PHE131B, PHE136A, PHE136B, PHE149A, PRO109B, PRO114A, PRO132A, PRO132B, PRO135A, PRO135B, PRO150A, PRO90B, SER180B, SER72B, SER89B, THR113A, THR113B, THR115A, THR115B, THR157B, THR20B, THR45B, THR48B, THR69B, TYR107B, TYR145A, VAL111A, VAL111B, VAL117A, VAL117B, VAL139A, VAL141A, VAL148A, VAL152A, VAL70B, VAL96B
• A-C: ALA120A, ALA122C, ALA133A, ALA144C, ALA146C, ARG119A, ARG119C, ARG140A, ARG140C, ARG143C, ARG22A, ARG47A, ARG71A, GLN137A, GLN137C, GLU116A, GLU116C, GLU118C, GLU134A, GLU147C, GLU151C, GLU163A, GLU94A, GLY110A, GLY138A, GLY138C, GLY158A, GLY159A, GLY68A, GLY91A, HIS164A, ILE160A, LEU112A, LEU112C, LEU121C, LEU128C, LEU142C, LEU18A, LEU46A, LEU92A, LEU93A, LYS161A, PHE130A, PHE130C, PHE131A, PHE136A, PHE136C, PHE149C, PRO109A, PRO114C, PRO132A, PRO132C, PRO135A, PRO135C, PRO150C, PRO90A, SER180A, SER72A, SER89A, THR113A, THR113C, THR115A, THR115C, THR157A, THR20A, THR45A, THR48A, THR69A, TYR107A, TYR145C, VAL111A, VAL111C, VAL117A, VAL117C, VAL139C, VAL141C, VAL148C, VAL152C, VAL70A, VAL96A
• A-E: ALA100A, ALA100E, ALA102A, ALA102E, ALA76A, ALA76E, ALA78A, ALA78E, ALA97A, ALA97E, ALA98A, ALA98E, ARG103A, ARG103E, GLN101A, GLN101E, GLU75A, GLU75E, GLU77A, GLU77E, GLU81A, GLU81E, GLU94A, GLU94E, GLU95A, GLU95E, GLY104A, GLY104E, LEU123A, LEU123E, LEU80A, LEU80E, LEU99A, LEU99E, LYS74A, LYS74E, PRO73A, PRO73E, SER72A, SER72E, VAL105A, VAL105E, VAL96A, VAL96E
• B-C: ALA120C, ALA122B, ALA133C, ALA144B, ALA146B, ARG119B, ARG119C, ARG140B, ARG143B, ARG22C, ARG47C, ARG71C, GLN137B, GLN137C, GLU116B, GLU116C, GLU118B, GLU134C, GLU147B, GLU151B, GLU94C, GLY110C, GLY138B, GLY138C, GLY158C, GLY159C, GLY68C, GLY91C, HIS164C, ILE160C, LEU112B, LEU112C, LEU121B, LEU128B, LEU142B, LEU18C, LEU46C, LEU92C, LEU93C, LYS129C, LYS161C, PHE130B, PHE130C, PHE131C, PHE136B, PHE136C, PHE149B, PRO109C, PRO114B, PRO132B, PRO132C, PRO135B, PRO135C, PRO150B, PRO90C, SER180C, SER72C, SER89C, THR113B, THR113C, THR115B, THR115C, THR157C, THR20C, THR45C, THR48C, THR69C, TYR107C, TYR145B, VAL111B, VAL111C, VAL117B, VAL117C, VAL139B, VAL141B, VAL148B, VAL152B, VAL70C, VAL96C
• B-F: ALA100B, ALA100F, ALA102B, ALA102F, ALA76B, ALA76F, ALA78B, ALA78F, ALA97B, ALA97F, ALA98B, ALA98F, ARG103B, ARG103F, GLN101B, GLN101F, GLU75B, GLU75F, GLU77B, GLU77F, GLU81B, GLU81F, GLU94B, GLU94F, GLU95B, GLU95F, GLY104B, GLY104F, LEU123B, LEU123F, LEU80B, LEU80F, LEU99B, LEU99F, LYS74B, LYS74F, PRO73B, PRO73F, SER72B, SER72F, VAL105B, VAL105F, VAL96B, VAL96F
• C-D: ALA100C, ALA100D, ALA102C, ALA102D, ALA76C, ALA76D, ALA78C, ALA78D, ALA97C, ALA97D, ALA98C, ALA98D, ARG103C, ARG103D, GLN101C, GLN101D, GLU75C, GLU75D, GLU77C, GLU77D, GLU81C, GLU81D, GLU94C, GLU94D, GLU95C, GLU95D, GLY104C, GLY104D, LEU123C, LEU123D, LEU80C, LEU80D, LEU99C, LEU99D, LYS74C, LYS74D, PRO73C, PRO73D, SER72C, SER72D, VAL105C, VAL105D, VAL96C, VAL96D
• D-E: ALA120D, ALA122E, ALA133D, ALA144E, ALA146E, ARG119D, ARG119E, ARG140D, ARG140E, ARG143E, ARG22D, ARG47D, ARG71D, GLN137D, GLN137E, GLU116D, GLU116E, GLU118E, GLU134D, GLU147E, GLU151E, GLU94D, GLY110D, GLY138D, GLY138E, GLY158D, GLY159D, GLY91D, HIS164D, LEU112D, LEU112E, LEU121E, LEU128E, LEU142E, LEU18D, LEU92D, LEU93D, LYS129D, LYS161D, PHE130D, PHE130E, PHE131D, PHE136D, PHE136E, PHE149E, PRO109D, PRO114E, PRO132D, PRO132E, PRO135D, PRO135E, PRO150E, PRO90D, SER180D, SER72D, SER89D, THR113D, THR113E, THR115D, THR115E, THR157D, THR20D, THR45D, THR69D, TYR107D, TYR145E, VAL111D, VAL111E, VAL117E, VAL139E, VAL141E, VAL148E, VAL152E, VAL70D, VAL96D
• D-F: ALA120F, ALA122D, ALA133F, ALA144D, ALA146D, ARG119D, ARG119F, ARG140D, ARG140F, ARG143D, ARG22F, ARG47F, ARG71F, GLN137D, GLN137F, GLU116D, GLU116F, GLU118D, GLU134F, GLU147D, GLU151D, GLU94F, GLY110F, GLY138D, GLY138F, GLY158F, GLY159F, GLY91F, HIS164F, LEU112D, LEU112F, LEU121D, LEU142D, LEU18F, LEU92D, LEU92F, LEU93F, LYS129F, PHE130D, PHE130F, PHE131F, PHE136D, PHE136F, PHE149D, PRO109F, PRO114D, PRO132D, PRO132F, PRO135D, PRO135F, PRO150D, PRO90F, SER180F, SER72F, SER89F, THR113D, THR113F, THR115D, THR115F, THR157F, THR20F, THR45F, THR69F, TYR107F, TYR145D, VAL111D, VAL111F, VAL117D, VAL139D, VAL141D, VAL148D, VAL152D, VAL70F, VAL96F
• E-F: ALA120E, ALA122F, ALA133E, ALA144F, ALA146F, ARG119E, ARG119F, ARG140F, ARG143F, ARG22E, ARG47E, ARG71E, GLN137E, GLN137F, GLU116E, GLU116F, GLU118F, GLU134E, GLU147F, GLU151F, GLU94E, GLY110E, GLY138E, GLY138F, GLY158E, GLY159E, GLY91E, HIS164E, ILE160E, LEU112E, LEU112F, LEU121F, LEU128F, LEU142F, LEU92E, LEU93E, LYS129E, PHE130E, PHE130F, PHE131E, PHE136E, PHE136F, PHE149F, PRO109E, PRO114F, PRO132E, PRO132F, PRO135E, PRO135F, PRO150F, PRO90E, SER180E, SER72E, SER89E, THR113E, THR113F, THR115E, THR115F, THR157E, THR20E, THR45E, THR69E, TYR107E, TYR145F, VAL111E, VAL111F, VAL117F, VAL139F, VAL141F, VAL148F, VAL152F, VAL70E, VAL96E