2Y70

crystallographic structure of gm23, mutant g89d, an example of catalytic migration from tim to thiamin phosphate synthase.

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 28
  • Norm. En. per Res.: -4.4387
• 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	-6.5035	-70.5949	-47.1865	-124.2849	28	0	0	1813	2	8	13
A-D	0.0	14.2205	541.038	555.2585	101	12	5	7550	0	11	12
B-C	0.0	14.157	552.087	566.244	96	15	5	7441	0	11	12

Interface residues

• A-B: ALA234A, ALA234B, ALA251A, ALA251B, ARG232A, ARG232B, ASN230A, ASN230B, ASN233A, ASN233B, ASP259A, ASP259B, GLU256A, GLU256B, GLY190A, GLY190B, GLY231A, GLY231B, ILE260A, ILE260B, LYS254A, LYS254B, PHE257A, PHE257B, PRO255A, PRO255B, VAL258A, VAL258B
• A-D: ALA115A, ALA115D, ALA186D, ALA69A, ALA69D, ALA71A, ALA71D, ALA89A, ALA89D, ALA92A, ALA92D, ALA94A, ALA94D, ALA96A, ARG113A, ARG113D, ARG114A, ARG114D, ASN31A, ASN31D, ASN35A, ASN35D, ASN88A, ASN88D, ASN91A, ASN91D, ASP100A, ASP109A, ASP109D, ASP126A, ASP126D, ASP93A, ASP93D, CYS34A, CYS34D, GLN38A, GLN38D, GLN70A, GLN70D, GLN87A, GLN87D, GLU112A, GLU112D, GLU119A, GLU119D, GLU182D, GLY102A, GLY118A, GLY118D, GLY188A, GLY188D, GLY190D, GLY249D, GLY250D, GLY36A, GLY36D, GLY68A, GLY68D, GLY90A, GLY90D, HIS110A, HIS110D, ILE103A, ILE123A, ILE123D, ILE187A, ILE187D, LEU253D, LEU98A, LYS127A, LYS127D, LYS33A, LYS33D, LYS74A, MET67A, MET67D, MET72A, PHE101A, PHE101D, SER111A, SER111D, SER64A, SER64D, SER97A, SER97D, THR120A, THR120D, THR189A, THR189D, TRP32A, TRP32D, TRP65A, TRP65D, TYR116A, TYR116D, TYR117A, TYR117D, TYR66A, TYR66D, VAL184A, VAL184D
• B-C: ALA115B, ALA115C, ALA186C, ALA69B, ALA69C, ALA71B, ALA71C, ALA89B, ALA89C, ALA92B, ALA92C, ALA94B, ALA94C, ALA96B, ARG113B, ARG113C, ARG114B, ASN31B, ASN31C, ASN35B, ASN35C, ASN88B, ASN88C, ASN91B, ASN91C, ASP100B, ASP109B, ASP109C, ASP126B, ASP126C, ASP93B, ASP93C, CYS34B, CYS34C, GLN38B, GLN38C, GLN70B, GLN70C, GLN87B, GLN87C, GLU112B, GLU112C, GLU119B, GLU119C, GLU182C, GLY118B, GLY118C, GLY188B, GLY188C, GLY190C, GLY249C, GLY250C, GLY36B, GLY36C, GLY68B, GLY68C, GLY90B, GLY90C, HIS110B, ILE103B, ILE123B, ILE123C, ILE187B, ILE187C, LEU253C, LEU98B, LYS127B, LYS127C, LYS33B, LYS33C, LYS74B, MET67B, MET67C, MET72B, PHE101B, PHE101C, SER111B, SER111C, SER64B, SER64C, SER97B, SER97C, THR120C, THR189B, THR189C, TRP32C, TRP65B, TRP65C, TYR116B, TYR116C, TYR117B, TYR117C, TYR66B, TYR66C, VAL184B, VAL184C