3M6Y

structure of 4-hydroxy-2-oxoglutarate aldolase from bacillus cereus at 1.45 a resolution.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 108
  • Norm. En. per Res.: -2.9056
• 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	-3.3467	19.322	-14.6863	1.289	38	1	0	977	0	18	19
A-C	0.0	19.7985	-3.2382	16.5603	13	0	0	312	0	8	7
A-D	-48.7963	-13.3485	-245.505	-307.6498	107	6	13	10234	0	23	24
B-C	-49.8581	-13.8562	-250.091	-313.8052	108	10	14	10411	0	22	24

Interface residues

• A-B: ALA136B, ALA137A, ALA137B, ALA170B, ALA72A, ARG76A, ASN128B, ASN75A, ASP196A, ASP74A, GLU139B, GLU140B, GLU172B, GLU173B, GLU174B, GLU198A, GLU227A, GLY122B, GLY138B, GLY193A, GLY194A, GLY73A, HIS171B, ILE223A, ILE224A, LEU169B, LYS123B, LYS141B, LYS167A, LYS197A, LYS226A, LYS43A, PHE164A, PRO165A, SER135B, SER221A, SER222A, TYR126B
• A-C: ALA170A, ALA181C, GLU184C, GLU198A, GLY168A, GLY194A, LEU169A, LYS123C, LYS147C, LYS167A, LYS180C, TYR126C, VAL124C
• A-D: ALA102A, ALA102D, ALA105A, ALA105D, ALA136A, ALA136D, ALA137A, ALA137D, ALA142A, ALA142D, ALA149A, ALA149D, ALA151A, ALA151D, ALA78A, ALA78D, ALA79A, ALA79D, ALA82A, ALA82D, ARG104A, ARG104D, ARG154A, ARG154D, ASN106A, ASN106D, ASN128A, ASN128D, ASN75A, ASN75D, ASP155A, ASP155D, GLU109A, GLU109D, GLU139A, GLU139D, GLU140A, GLU140D, GLU184A, GLU185A, GLU185D, GLU83A, GLU83D, GLY101A, GLY101D, GLY108A, GLY108D, GLY125A, GLY125D, GLY132A, GLY132D, GLY138A, GLY138D, GLY157A, GLY157D, ILE129A, ILE129D, ILE134A, ILE134D, ILE143A, ILE143D, ILE146A, ILE146D, ILE150A, ILE150D, LEU107A, LEU107D, LEU152A, LEU152D, LYS141A, LYS141D, LYS147A, LYS147D, LYS86A, LYS86D, PHE97A, PHE97D, PRO133A, PRO133D, PRO145A, PRO145D, PRO98A, PRO98D, SER130A, SER130D, SER135A, SER135D, SER99A, SER99D, THR103A, THR103D, THR131A, THR131D, THR148A, THR148D, TYR126A, TYR126D, VAL100A, VAL100D, VAL127A, VAL127D, VAL144A, VAL144D, VAL153A, VAL153D, VAL96A, VAL96D
• B-C: ALA102B, ALA102C, ALA105B, ALA105C, ALA136B, ALA136C, ALA137B, ALA137C, ALA142B, ALA142C, ALA149B, ALA149C, ALA151B, ALA151C, ALA181C, ALA78B, ALA78C, ALA79B, ALA79C, ALA82B, ALA82C, ARG104B, ARG104C, ARG154B, ARG154C, ASN106B, ASN106C, ASN128B, ASN128C, ASN75B, ASN75C, ASP155B, ASP155C, GLU109B, GLU109C, GLU139B, GLU139C, GLU140B, GLU140C, GLU184B, GLU185B, GLU185C, GLU83B, GLU83C, GLY101B, GLY101C, GLY108B, GLY108C, GLY125B, GLY125C, GLY132B, GLY132C, GLY138B, GLY138C, GLY157B, GLY157C, ILE129B, ILE129C, ILE134B, ILE134C, ILE143B, ILE143C, ILE146B, ILE146C, ILE150B, ILE150C, LEU107B, LEU107C, LEU152B, LEU152C, LYS141B, LYS141C, LYS147B, LYS147C, LYS86B, LYS86C, PHE97B, PHE97C, PRO133B, PRO133C, PRO145B, PRO145C, PRO98B, PRO98C, SER130B, SER130C, SER135B, SER135C, SER99B, SER99C, THR103B, THR103C, THR131B, THR131C, THR148B, THR148C, TYR126B, TYR126C, VAL100B, VAL100C, VAL127B, VAL127C, VAL144B, VAL144C, VAL153B, VAL153C, VAL96B, VAL96C