2PP3

crystal structure of l-talarate/galactarate dehydratase mutant k197a liganded with mg and l-glucarate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 282
  • Norm. En. per Res.: -3.6819
• 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	-3.0392	3.6308	-10.9535	-10.3619	20	0	0	582	0	15	11
A-C	-2.6744	6.9187	-83.7102	-79.466	59	1	0	3581	3	42	38
B-C	-185.788	-53.5851	-798.934	-1038.3071	282	43	17	31331	6	98	97

Interface residues

• A-B: ARG19B, ARG373A, ARG70B, ASN17B, ASN189A, ASN354A, ASN358A, ASP372A, ASP71B, GLN360A, GLN383A, GLU23B, GLU359A, GLY72B, LEU356A, PHE357A, PHE73B, PRO355A, SER381A, THR24B
• A-C: ALA216A, ALA384C, ARG146C, ARG187A, ARG364A, ARG373C, ARG385C, ARG386C, ARG397C, ARG68C, ARG70C, ASN182A, ASN189A, ASN358C, ASP177A, ASP26C, ASP365A, ASP372C, ASP71C, GLN178A, GLN360A, GLN383C, GLU188A, GLU220A, GLU359C, GLU362A, GLU382C, GLU66C, GLU74C, GLY148C, GLY190A, GLY366A, GLY72C, HIS374C, ILE185A, LEU176A, LEU180A, LEU356C, LEU363A, LEU380C, LYS145C, LYS181A, LYS32C, LYS396C, MET142C, PHE221A, PHE357C, PHE378C, PHE73C, PRO398C, SER186A, SER381C, SER69C, THR379C, TRP369A, VAL179A, VAL183A, VAL184A, VAL76C
• B-C: ALA13B, ALA13C, ALA144B, ALA144C, ALA147B, ALA147C, ALA152B, ALA152C, ALA157B, ALA157C, ALA15B, ALA15C, ALA16B, ALA16C, ALA21B, ALA21C, ALA22B, ALA22C, ALA318B, ALA319B, ALA319C, ALA339B, ALA339C, ALA340B, ALA340C, ALA41B, ALA41C, ALA5B, ALA5C, ALA9B, ALA9C, ARG146B, ARG146C, ARG159B, ARG159C, ARG187B, ARG187C, ARG19B, ARG19C, ARG27B, ARG27C, ARG284B, ARG284C, ARG364B, ARG364C, ARG373B, ARG373C, ARG386B, ASN106B, ASN106C, ASN166B, ASN166C, ASN17B, ASN17C, ASN182B, ASN182C, ASN189B, ASN189C, ASN354B, ASN354C, ASN358B, ASN358C, ASN6B, ASN6C, ASP104B, ASP104C, ASP107B, ASP107C, ASP109B, ASP109C, ASP160B, ASP160C, ASP26B, ASP26C, ASP316B, ASP316C, ASP372B, ASP372C, ASP8B, ASP8C, CYS164B, CYS164C, GLN178B, GLN178C, GLN360B, GLN360C, GLN383B, GLN383C, GLU103B, GLU103C, GLU188B, GLU188C, GLU23B, GLU23C, GLU287B, GLU287C, GLU351B, GLU351C, GLU359B, GLU359C, GLU362B, GLU362C, GLU59B, GLU59C, GLY148B, GLY148C, GLY156B, GLY156C, GLY169B, GLY169C, GLY170B, GLY170C, GLY190B, GLY190C, GLY192B, GLY192C, GLY193B, GLY193C, GLY25B, GLY25C, HIS158B, HIS158C, HIS173B, HIS173C, HIS321B, HIS321C, HIS336B, HIS336C, HIS349B, HIS349C, HIS374B, HIS374C, ILE108B, ILE108C, ILE111B, ILE111C, ILE185B, ILE185C, ILE191B, ILE191C, ILE194B, ILE194C, ILE290B, ILE314B, ILE370B, ILE370C, LEU149B, LEU149C, LEU151B, LEU151C, LEU154B, LEU154C, LEU155B, LEU155C, LEU291B, LEU291C, LEU312B, LEU312C, LEU317B, LEU317C, LEU353B, LEU353C, LEU356B, LEU356C, LEU361B, LEU361C, LEU363B, LEU363C, LEU38B, LEU38C, LEU40B, LEU40C, LEU57B, LEU57C, LYS110B, LYS110C, LYS114B, LYS114C, LYS143B, LYS143C, LYS145B, LYS145C, LYS14B, LYS14C, LYS153B, LYS153C, LYS181B, LYS181C, LYS313B, LYS313C, LYS320B, LYS320C, MET142B, MET142C, MET331B, MET331C, MET368B, MET368C, PHE171B, PHE171C, PHE283B, PHE283C, PHE350B, PHE350C, PHE378B, PHE378C, PHE37B, PHE37C, PHE73B, PHE73C, PRO105B, PRO105C, PRO150B, PRO150C, PRO175B, PRO175C, PRO342B, PRO342C, PRO355B, PRO355C, PRO39B, PRO39C, PRO43B, PRO43C, SER161B, SER161C, SER168B, SER168C, SER186B, SER186C, SER371B, SER371C, SER45B, SER45C, SER4B, SER4C, SER7B, SER7C, THR113B, THR113C, THR11B, THR11C, THR167B, THR167C, THR174B, THR174C, THR18B, THR18C, THR20B, THR20C, THR24B, THR24C, THR42B, THR42C, THR58B, THR58C, TRP140B, TRP140C, TRP352B, TRP352C, TRP369B, TRP369C, TRP387B, TRP387C, TYR112B, TYR112C, TYR12B, TYR12C, TYR165B, TYR165C, VAL10B, VAL10C, VAL179B, VAL179C, VAL183B, VAL183C, VAL184B, VAL184C, VAL44B, VAL44C, VAL60B, VAL60C