1RKX

crystal structure at 1.8 angstrom of cdp-d-glucose 4,6- dehydratase from yersinia pseudotuberculosis

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 123
  • Norm. En. per Res.: -3.2311
• 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-C	-31.3245	0.0	-366.095	-397.4195	123	11	8	13649	0	18	17
A-D	-32.4437	15.08	-202.368	-219.7317	72	16	0	7998	10	40	30
B-C	-39.2202	8.0525	-199.143	-230.3108	75	15	0	7796	12	39	29
B-D	-19.2443	0.0	-376.978	-396.2223	124	7	8	13850	0	19	18

Interface residues

• A-C: ALA117A, ALA117C, ALA150A, ALA150C, ALA164A, ALA164C, ALA179A, ALA179C, ARG119A, ARG119C, ARG172A, ARG172C, ARG67A, ARG67C, ASN148A, ASN148C, ASN159A, ASN159C, ASN173A, ASN173C, ASN177A, ASN177C, ASN180A, ASP137A, ASP137C, ASP155A, ASP155C, CYS135A, CYS135C, CYS163A, CYS163C, GLN69A, GLN69C, GLU102A, GLU102C, GLU116A, GLU116C, GLU149A, GLU149C, GLU165A, GLU165C, GLU99A, GLU99C, GLY110C, GLY152A, GLY152C, GLY153A, GLY153C, GLY162A, GLY162C, HIS120A, HIS120C, LEU114A, LEU114C, LEU115A, LEU115C, LEU166A, LEU166C, LEU95A, LEU95C, LYS139A, LYS139C, LYS161A, LYS161C, MET109A, MET109C, MET151A, MET151C, PHE175A, PHE175C, PHE176A, PRO100A, PRO100C, PRO156A, PRO156C, PRO178A, PRO178C, SER105A, SER105C, SER158A, SER158C, SER160A, SER160C, SER169A, SER169C, SER170A, SER170C, SER174A, SER174C, SER96A, SER96C, SER98A, SER98C, THR103A, THR103C, THR106A, THR106C, THR168A, THR168C, TYR104A, TYR104C, TYR113A, TYR113C, TYR136A, TYR136C, TYR154A, TYR154C, TYR157A, TYR157C, TYR171A, TYR171C, TYR97A, TYR97C, VAL101A, VAL101C, VAL108A, VAL108C, VAL112A, VAL112C, VAL167A, VAL167C, VAL93A, VAL93C
• A-D: ALA267A, ALA267D, ALA269A, ALA300A, ALA310A, ALA310D, ARG146A, ARG146D, ARG192A, ARG192D, ASN148A, ASN148D, ASN261A, ASN261D, ASN265A, ASN265D, ASP266A, ASP266D, ASP268A, ASP268D, ASP306A, ASP306D, CYS307A, CYS307D, GLN313A, GLN313D, GLU147A, GLU147D, GLU149A, GLU149D, GLU299A, GLY144A, GLY144D, GLY259A, GLY259D, HIS301A, HIS301D, HIS317A, HIS317D, ILE142A, ILE142D, ILE229A, ILE229D, LEU305A, LEU305D, LYS139A, LYS139D, LYS304A, LYS304D, LYS309A, LYS309D, LYS311A, LYS311D, MET312A, MET312D, PRO318A, PRO318D, SER308A, SER308D, THR270A, TRP141A, TRP141D, TRP143A, TRP143D, TRP260A, TRP260D, TYR136A, TYR136D, TYR145A, TYR145D, TYR302A, TYR302D
• B-C: ALA267B, ALA267C, ALA269B, ALA269C, ALA300C, ALA310B, ALA310C, ARG146B, ARG146C, ARG192B, ARG192C, ASN148B, ASN148C, ASN261B, ASN261C, ASN265B, ASN265C, ASP266B, ASP266C, ASP268B, ASP268C, ASP306B, ASP306C, CYS307B, CYS307C, GLN313B, GLN313C, GLU147B, GLU147C, GLU149B, GLU149C, GLU299C, GLY144B, GLY144C, GLY259B, GLY259C, HIS301B, HIS301C, HIS317B, HIS317C, ILE142B, ILE142C, ILE229B, ILE229C, LEU305B, LEU305C, LEU314B, LYS139B, LYS139C, LYS304B, LYS304C, LYS309B, LYS309C, LYS311B, LYS311C, MET312B, MET312C, PRO318B, PRO318C, SER308B, SER308C, THR270B, THR270C, TRP141B, TRP141C, TRP143B, TRP143C, TRP260B, TRP260C, TYR136B, TYR136C, TYR145B, TYR145C, TYR302B, TYR302C
• B-D: ALA117B, ALA117D, ALA150B, ALA150D, ALA164B, ALA164D, ALA179B, ALA179D, ARG119B, ARG119D, ARG172B, ARG172D, ARG67B, ARG67D, ASN107B, ASN148B, ASN148D, ASN159B, ASN159D, ASN173B, ASN173D, ASN177B, ASN177D, ASN180B, ASN180D, ASP137B, ASP137D, ASP155B, ASP155D, CYS135B, CYS135D, CYS163B, CYS163D, GLN69B, GLN69D, GLU102B, GLU102D, GLU116B, GLU116D, GLU149B, GLU149D, GLU165B, GLU165D, GLU99B, GLU99D, GLY110B, GLY110D, GLY152B, GLY152D, GLY153B, GLY153D, GLY162B, GLY162D, HIS120B, HIS120D, LEU114B, LEU114D, LEU115B, LEU115D, LEU166B, LEU166D, LEU95B, LEU95D, LYS139B, LYS139D, LYS161B, LYS161D, MET109B, MET109D, MET151B, MET151D, PHE175B, PHE175D, PRO100B, PRO100D, PRO156B, PRO156D, PRO178B, PRO178D, SER105B, SER105D, SER158B, SER158D, SER160B, SER160D, SER169B, SER169D, SER170B, SER170D, SER174B, SER174D, SER96B, SER96D, SER98B, SER98D, THR103B, THR103D, THR106B, THR106D, THR111D, THR168B, THR168D, TYR104B, TYR104D, TYR113B, TYR113D, TYR136B, TYR136D, TYR154B, TYR154D, TYR157B, TYR157D, TYR171B, TYR171D, TYR97B, TYR97D, VAL101B, VAL101D, VAL108B, VAL108D, VAL112B, VAL112D, VAL167B, VAL167D