3P0W

crystal structure of d-glucarate dehydratase from ralstonia solanacearum complexed with mg and d-glucarate

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 134
  • Norm. En. per Res.: -3.2424
• 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	-31.2379	-85.6474	-318.781	-435.6663	138	10	0	12903	3	29	23
A-C	0.0	1.5307	-18.4747	-16.944	34	1	1	983	0	17	21
B-C	0.0	-1.6213	-1.687	-3.3083	9	0	0	217	0	7	6
C-D	-41.9892	-71.1233	-321.375	-434.4875	134	12	0	12576	4	28	21

Interface residues

• A-B: ALA149A, ALA149B, ALA154A, ALA154B, ALA308A, ALA317A, ALA317B, ALA322A, ALA342B, ALA373A, ALA373B, ARG312A, ARG312B, ARG340A, ARG340B, ARG411A, ARG411B, ARG49A, ARG49B, ARG79A, ARG79B, ARG88A, ARG88B, ARG89A, ARG89B, ARG9A, ARG9B, ASN81A, ASN81B, ASP310A, ASP310B, ASP346A, ASP346B, CB7.12011-30.71862, GLN142A, GLN142B, GLN156A, GLN156B, GLN157A, GLN157B, GLN313A, GLN313B, GLN319A, GLN319B, GLN336A, GLN336B, GLN343A, GLN343B, GLU145A, GLU145B, GLU150A, GLU150B, GLU347A, GLU347B, GLU410A, GLU410B, GLY141A, GLY141B, GLY153A, GLY153B, GLY155A, GLY155B, GLY315A, GLY315B, GLY337A, GLY337B, GLY349A, GLY413B, GLY78A, GLY78B, GLY82A, GLY82B, HIS316A, HIS316B, HIS321A, HIS321B, HIS6A, HIS6A5, HIS6B, ILE77A, ILE77B, LEU140A, LEU140B, LEU144A, LEU144B, LEU151A, LEU151B, LEU152A, LEU152B, LEU320A, LEU320B, LEU344A, LEU344B, LEU350A, LEU350B, LEU84A, LEU84B, MET314A, MET314B, PHE143A, PHE143B, PRO147A, PRO147B, PRO375A, PRO375B, PRO409A, PRO412A, PRO412B, PRO8A, PRO8B, SER76A, SER76B, SER85A, SER85B, THR334A, THR334B, THR7A, THR7B, THR80A, THR80B, TRP311A, TRP311B, TRP333A, TRP333B, TRP348A, TRP348B, VAL146A, VAL146B, VAL148A, VAL148B, VAL318A, VAL318B, VAL339A, VAL339B, VAL341A, VAL341B, VAL83A, VAL83B
• A-C: ALA184C, ALA390C, ALA425C, ALA428C, ALA47A, ARG173C, ARG174C, ARG192C, ARG21C, ARG396A, ARG411A, ARG422C, ARG49A, ASN46A, ASP421C, ASP45A, GLN142A, GLU145A, GLU182C, GLU196C, GLU397A, GLU410A, GLU417A, GLY183C, GLY48A, HIS6A, LEU181C, LEU429C, LEU433C, PHE143A, PHE35C, PRO179C, PRO8A, THR432C
• B-C: ALA184C, ALA390C, ARG214C, ASP188C, GLY183C, HIS6B, LEU191C, PHE143B, THR7B
• C-D: ALA149C, ALA149D, ALA154C, ALA154D, ALA308D, ALA317C, ALA317D, ALA322D, ALA342C, ALA373C, ALA373D, ALA47D, ARG312C, ARG312D, ARG340C, ARG340D, ARG49C, ARG49D, ARG79C, ARG79D, ARG88C, ARG88D, ARG89C, ARG89D, ARG9C, ARG9D, ASN81C, ASN81D, ASP310C, ASP310D, ASP346C, ASP346D, CYS345C, GLN142C, GLN142D, GLN156C, GLN156D, GLN157C, GLN157D, GLN313C, GLN313D, GLN319C, GLN319D, GLN336C, GLN336D, GLN343C, GLN343D, GLU145C, GLU145D, GLU150C, GLU150D, GLU347C, GLU347D, GLU410D, GLY141C, GLY141D, GLY153C, GLY153D, GLY155C, GLY155D, GLY315C, GLY315D, GLY337C, GLY337D, GLY349C, GLY349D, GLY78C, GLY78D, GLY82C, GLY82D, HIS316C, HIS316D, HIS321C, HIS321D, HIS6C, HIS6D, ILE129D, ILE77C, ILE77D, LEU140C, LEU140D, LEU144C, LEU144D, LEU151C, LEU151D, LEU152C, LEU152D, LEU320C, LEU320D, LEU344C, LEU344D, LEU350C, LEU350D, LEU84C, LEU84D, MET314C, MET314D, PHE143C, PHE143D, PRO147C, PRO147D, PRO375C, PRO375D, PRO412D, PRO8C, PRO8D, SER76C, SER76D, SER85C, SER85D, THR334D, THR5D, THR7C, THR7D, THR80C, THR80D, TRP311C, TRP311D, TRP333C, TRP333D, TRP348C, TRP348D, VAL146C, VAL146D, VAL148C, VAL148D, VAL318C, VAL318D, VAL339C, VAL339D, VAL341C, VAL341D, VAL83C, VAL83D