2GMU

crystal structure of e coli gdp-4-keto-6-deoxy-d-mannose-3- dehydratase complexed with plp-glutamate ketimine intermediate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 240
  • Norm. En. per Res.: -3.4701
• 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	-67.774	-88.8998	-676.161	-832.8348	240	33	13	26760	6	62	50

Interface residues

• A-B: ALA191A, ALA191B, ALA214A, ALA214B, ALA59A, ALA59B, ALA65A, ALA65B, ARG213A, ARG219A, ARG219B, ARG250A, ARG250B, ARG316A, ARG316B, ARG331A, ARG331B, ASN248A, ASN248B, ASN324A, ASN324B, ASN337A, ASN337B, ASN341A, ASN341B, ASN365A, ASN365B, ASP234A, ASP234B, ASP24A, ASP24B, ASP343A, ASP343B, ASP363A, ASP363B, CYS211A, CYS211B, CYS330A, CYS330B, GLN20A, GLN20B, GLN235A, GLN235B, GLN96A, GLN96B, GLN97A, GLN97B, GLU15A, GLU15B, GLU194A, GLU194B, GLU237A, GLU237B, GLU238A, GLU238B, GLU253A, GLU253B, GLU329A, GLU329B, GLY195A, GLY195B, GLY216A, GLY216B, GLY246A, GLY246B, GLY336A, GLY336B, GLY366A, GLY366B, GLY56A, GLY56B, GLY99A, GLY99B, HIS0A, HIS188A, HIS188B, HIS215A, HIS215B, ILE19A, ILE19B, ILE208A, ILE208B, ILE212A, ILE212B, ILE258A, ILE258B, ILE333A, ILE333B, LEU23A, LEU23B, LEU244A, LEU244B, LEU252A, LEU252B, LEU323A, LEU323B, LEU345A, LEU345B, LEU362A, LEU362B, LEU367A, LEU367B, LEU61A, LEU61B, LEU62A, LEU62B, LEU6A, LEU6B, LYS17A, LYS17B, LYS241A, LYS241B, LYS26A, LYS26B, LYS317A, LYS317B, LYS340A, LYS340B, LYS346A, LYS346B, LYS364A, LYS364B, LYS71A, LYS71B, LYS77A, LYS77B, MET193A, MET193B, MET254A, MET254B, MET27A, MET27B, MET30A, MET30B, PHE185A, PHE185B, PHE236A, PHE236B, PHE240A, PHE240B, PHE242A, PHE242B, PHE28A, PHE28B, PHE306B, PHE338A, PHE338B, PHE348A, PHE348B, PHE368A, PHE368B, PHE68A, PHE68B, PHE69A, PHE69B, PRO245A, PRO245B, PRO251A, PRO251B, PRO332A, PRO332B, PRO73A, PRO73B, PRO94A, PRO94B, SER183A, SER183B, SER187B, SER232A, SER239A, SER239B, SER255A, SER255B, SER25A, SER25B, SER54A, SER54B, SER55A, SER55B, SER57A, SER57B, SER87A, SER87B, SER89A, SER89B, SER9A, SER9B, THR10A, THR10B, THR192A, THR192B, THR228A, THR228B, THR29A, THR29B, THR335A, THR335B, THR342A, THR342B, THR58A, THR58B, THR70A, THR70B, THR90A, THR90B, TRP11A, TRP11B, TRP217A, TRP217B, TRP88A, TRP88B, TYR16A, TYR16B, TYR186A, TYR186B, TYR247A, TYR247B, TYR347A, TYR347B, TYR92A, TYR92B, TYR93A, TYR93B, TYR98A, TYR98B, VAL227A, VAL227B, VAL22A, VAL22B, VAL243A, VAL243B, VAL249A, VAL249B, VAL320A, VAL320B, VAL334A, VAL334B, VAL344A, VAL344B, VAL369B