3NXL

crystal structure of glucarate dehydratase from burkholderia cepacia complexed with magnesium

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 131
  • Norm. En. per Res.: -3.3736
• 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	-19.1172	8.7274	-98.4617	-108.8515	43	5	0	3618	0	14	17
A-C	-22.7364	-34.1851	-305.353	-362.2745	132	16	2	13190	2	30	36
B-D	-20.8329	-100.465	-320.648	-441.9459	131	11	2	13337	5	30	35

Interface residues

• A-B: ALA188A, ALA190A, ALA212A, ALA214A, ALA215A, ALA445B, ALA447B, ARG177B, ARG179B, ARG191A, ARG196A, ARG210A, ARG218A, ARG449B, ASP176B, ASP181B, ASP186B, ASP217A, CYS246A, GLN189A, GLN211A, GLU200A, GLU201B, GLU213A, GLY178B, GLY454B, LEU182B, LEU197A, LEU451B, PHE247A, PRO183B, PRO193A, PRO38B, PRO453B, THR180B, THR192A, TRP194A, TRP455B, TYR184B, TYR450B, VAL216A, VAL446B, VAL452B
• A-C: ALA153A, ALA153C, ALA154A, ALA154C, ALA312A, ALA312C, ALA321A, ALA321C, ALA326A, ALA326C, ALA346A, ALA346C, ALA377A, ALA377C, ALA86A, ALA86C, ARG13A, ARG13C, ARG299A, ARG299C, ARG316A, ARG316C, ARG323A, ARG323C, ARG344A, ARG344C, ARG350A, ARG350C, ARG83A, ARG83C, ARG92A, ARG92C, ASN89A, ASN89C, ASP149A, ASP149C, ASP314A, ASP314C, ASP319A, ASP319C, ASP351A, ASP351C, CYS349A, CYS349C, GLN146A, GLN146C, GLN160A, GLN160C, GLN161A, GLN161C, GLN317A, GLN317C, GLN325A, GLN325C, GLN340A, GLN340C, GLN347A, GLN347C, GLN85A, GLN85C, GLU158A, GLU158C, GLU414A, GLU414C, GLY10C, GLY145A, GLY145C, GLY157A, GLY157C, GLY159A, GLY159C, GLY341A, GLY341C, GLY353A, GLY353C, GLY82A, GLY82C, HIS147A, HIS147C, HIS320A, HIS320C, ILE81A, ILE81C, LEU144A, LEU144C, LEU148A, LEU148C, LEU155A, LEU155C, LEU156A, LEU156C, LEU324A, LEU324C, LEU345A, LEU345C, LEU348A, LEU348C, LEU354A, LEU354C, LEU88A, LEU88C, PRO12A, PRO12C, PRO151A, PRO151C, PRO379A, PRO379C, PRO416A, PRO416C, SER80A, SER80C, THR11A, THR11C, THR338A, THR338C, THR87A, THR87C, TRP315A, TRP315C, TRP337A, TRP337C, TRP352A, TRP352C, TYR84A, TYR84C, VAL150A, VAL150C, VAL322A, VAL322C, VAL327C, VAL343A, VAL343C
• B-D: ALA153B, ALA153D, ALA154B, ALA154D, ALA312B, ALA312D, ALA321B, ALA321D, ALA326B, ALA326D, ALA346B, ALA346D, ALA377B, ALA377D, ALA86B, ALA86D, ARG13B, ARG13D, ARG299B, ARG300B, ARG316B, ARG316D, ARG323B, ARG323D, ARG344B, ARG344D, ARG350B, ARG350D, ARG83B, ARG83D, ARG92B, ARG92D, ASN89B, ASN89D, ASP149B, ASP149D, ASP314B, ASP314D, ASP319B, ASP319D, ASP351B, ASP351D, CYS349B, CYS349D, GLN146B, GLN146D, GLN160B, GLN160D, GLN161B, GLN161D, GLN317B, GLN317D, GLN325B, GLN325D, GLN340B, GLN340D, GLN347B, GLN347D, GLN85B, GLN85D, GLU158B, GLU158D, GLU414B, GLU414D, GLY10D, GLY145B, GLY145D, GLY157B, GLY157D, GLY159B, GLY159D, GLY341B, GLY341D, GLY353B, GLY353D, GLY82B, GLY82D, HIS147B, HIS147D, HIS320B, HIS320D, ILE81B, ILE81D, LEU144B, LEU144D, LEU148B, LEU148D, LEU155B, LEU155D, LEU156B, LEU156D, LEU324B, LEU324D, LEU345B, LEU345D, LEU348B, LEU348D, LEU354B, LEU354D, LEU88B, LEU88D, PRO12B, PRO12D, PRO151B, PRO151D, PRO379B, PRO379D, PRO416B, PRO416D, SER80B, SER80D, THR11B, THR11D, THR338D, THR87B, THR87D, TRP315B, TRP315D, TRP337B, TRP337D, TRP352B, TRP352D, TYR84B, TYR84D, VAL150B, VAL150D, VAL322B, VAL322D, VAL327B, VAL343B, VAL343D