2DFU

crystal structure of the 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase from thermus thermophilus hb8

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 142
  • Norm. En. per Res.: -4.253
• Hub Node: A(1)

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	-81.5911	-80.7164	-441.617	-603.9245	142	14	15	16898	3	39	38
B-D	-14.9766	-7.7491	-95.7925	-118.5182	52	0	0	3963	4	18	19
C-D	-85.7945	-69.0442	-423.661	-578.4997	137	20	15	16457	5	40	35

Interface residues

• A-B: ALA133B, ALA161A, ALA161B, ALA164A, ALA164B, ALA207A, ALA207B, ALA85A, ALA85B, ARG126A, ARG126B, ARG149B, ARG160A, ARG160B, ARG262A, ARG262B, ARG55A, ARG55B, ASN84A, ASN84B, ASP155A, ASP155B, ASP165A, ASP165B, ASP223A, ASP223B, CYS52A, CYS52B, GLN152A, GLN152B, GLN157A, GLN157B, GLU131A, GLU131B, GLU208A, GLU208B, GLU220A, GLU220B, GLU260A, GLU260B, GLU261A, GLU261B, GLU75A, GLU75B, GLY54A, GLY54B, GLY77A, GLY77B, GLY82A, GLY82B, HIS127A, HIS127B, ILE213A, ILE213B, ILE50A, ILE50B, LEU156A, LEU156B, LEU210A, LEU210B, LEU219A, LEU219B, LEU78A, LEU78B, LEU80A, LEU80B, LEU86A, LYS132A, LYS153A, LYS153B, LYS154A, LYS154B, LYS162A, LYS162B, LYS166A, LYS166B, LYS49A, LYS49B, LYS74A, LYS74B, LYS81A, LYS81B, MET125A, MET125B, MET217A, MET217B, PHE106A, PHE106B, PHE107A, PHE107B, PHE167A, PHE167B, PHE216A, PHE216B, PHE79A, PHE79B, PRO103A, PRO103B, PRO105A, PRO105B, PRO129A, PRO129B, PRO130A, PRO130B, PRO263A, PRO263B, PRO47A, PRO47B, PRO73A, PRO73B, PRO76A, PRO76B, PRO83A, PRO83B, SER163A, SER163B, SER211A, SER211B, SER214A, SER214B, THR215A, THR215B, THR218A, THR218B, THR48A, THR48B, TRP158A, TRP158B, TRP264A, TRP264B, TYR212A, TYR212B, VAL128A, VAL128B, VAL151A, VAL151B, VAL159A, VAL159B, VAL51A, VAL51B, VAL53A, VAL53B
• B-D: ALA245D, ALA37B, ALA37D, ARG10B, ARG186D, ARG241D, ARG32B, ARG33B, ARG93B, ARG93D, ASN190D, ASN7B, ASN91B, ASN91D, ASP35B, ASP35D, ASP94B, ASP94D, GLU17B, GLU17D, GLU21B, GLU243D, GLU8B, GLY191D, GLY31B, GLY97B, GLY97D, LEU18B, LEU193D, LEU36B, LEU36D, PHE253D, PHE6B, PRO92B, PRO92D, PRO95B, PRO95D, SER38B, SER38D, THR187D, THR192D, THR251D, THR30B, THR40B, THR98B, THR98D, TRP96B, TRP96D, TYR188D, TYR34B, VAL189D, VAL39B
• C-D: ALA133C, ALA133D, ALA161C, ALA161D, ALA164C, ALA164D, ALA207C, ALA85C, ALA85D, ARG126C, ARG126D, ARG160C, ARG160D, ARG262C, ARG262D, ARG55C, ARG55D, ASN84C, ASN84D, ASP155C, ASP155D, ASP165C, ASP165D, ASP223C, ASP223D, CYS52C, CYS52D, GLN152C, GLN152D, GLN157C, GLN157D, GLU131C, GLU131D, GLU208C, GLU208D, GLU220C, GLU220D, GLU260C, GLU260D, GLU261C, GLU261D, GLU75C, GLU75D, GLY54C, GLY54D, GLY77C, GLY77D, GLY82C, GLY82D, HIS127C, HIS127D, ILE213C, ILE213D, ILE50C, ILE50D, LEU156C, LEU156D, LEU210C, LEU210D, LEU219C, LEU219D, LEU78C, LEU78D, LEU80C, LEU80D, LYS153C, LYS153D, LYS154C, LYS154D, LYS162C, LYS162D, LYS166C, LYS166D, LYS49C, LYS49D, LYS74C, LYS81C, LYS81D, MET125C, MET125D, MET217C, MET217D, PHE106C, PHE106D, PHE107C, PHE107D, PHE167C, PHE167D, PHE216C, PHE216D, PHE79C, PHE79D, PRO103C, PRO103D, PRO105C, PRO105D, PRO129C, PRO129D, PRO130C, PRO130D, PRO263C, PRO263D, PRO47C, PRO47D, PRO73C, PRO76C, PRO76D, PRO83C, PRO83D, SER163C, SER163D, SER211C, SER211D, SER214C, SER214D, THR215C, THR215D, THR218C, THR218D, THR48C, THR48D, TRP158C, TRP158D, TRP264C, TRP264D, TYR212C, TYR212D, VAL128C, VAL128D, VAL151C, VAL151D, VAL159C, VAL159D, VAL51C, VAL51D, VAL53C, VAL53D