3QYQ

1.8 angstrom resolution crystal structure of a putative deoxyribose- phosphate aldolase from toxoplasma gondii me49

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 123
  • Norm. En. per Res.: -2.9962
• 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	-19.116	12.6414	-190.823	-197.2977	81	7	3	7496	1	30	26
A-C	0.0	31.2576	-399.787	-368.5294	123	13	16	14289	0	10	17
B-C	-23.7674	37.8493	-87.1357	-73.0538	41	5	1	3225	2	17	18
B-D	-10.1643	33.8946	-368.238	-344.5077	115	11	14	13730	0	8	17

Interface residues

• A-B: ALA160B, ALA161B, ALA163B, ALA164B, ALA169B, ALA194B, ARG125B, ARG127B, ARG159B, ARG196B, ARG201B, ARG205B, ARG219B, ARG269A, ASN-5A, ASN203B, ASP155B, ASP170B, ASP270A, ASP276A, ASP43A, ASP89B, CYS271A, GLN-1A, GLN9A, GLU123B, GLU132B, GLU166B, GLU197B, GLU202B, GLU204B, GLU267A, GLU273A, GLY0A, GLY138B, GLY154B, GLY167B, GLY168B, GLY279A, ILE126B, ILE156B, ILE157B, ILE191B, ILE193B, ILE39A, ILE6A, LEU-4A, LEU128B, LEU129B, LEU142B, LEU165B, LEU190B, LEU195B, LYS134B, LYS135B, LYS140B, LYS266A, LYS42A, LYS8A, MET199B, PHE-2A, PRO139B, PRO44A, PRO88B, SER124B, SER131B, SER158B, SER274A, SER277A, TRP275A, TYR-3A, TYR198B, TYR272A, VAL130B, VAL133B, VAL136B, VAL137B, VAL162B, VAL200B, VAL208B, VAL278A
• A-C: ALA233A, ALA233C, ALA236A, ALA236C, ALA45A, ALA45C, ARG13A, ARG13C, ARG196A, ARG249A, ARG249C, ARG253A, ARG253C, ASN-5A, ASN17A, ASN17C, ASN246A, ASP237A, ASP237C, ASP276A, ASP276C, ASP43A, CYS271A, CYS271C, GLN-1A, GLN-1C, GLN241A, GLN241C, GLN9A, GLN9C, GLU234A, GLU234C, GLU245A, GLU245C, GLU267A, GLU267C, GLU273A, GLU273C, GLY0A, GLY0C, GLY247A, GLY247C, GLY279A, GLY279C, HIS189A, HIS189C, HIS231A, HIS231C, ILE193A, ILE243A, ILE243C, ILE251A, ILE251C, ILE6A, ILE6C, LEU15A, LEU15C, LEU16A, LEU16C, LEU239A, LEU239C, LEU264C, LEU268A, LEU268C, LYS74C, LYS8A, LYS8C, MET185A, MET185C, MET232A, MET232C, MET240A, MET240C, MET242A, MET242C, PHE-2A, PHE-2C, PHE10A, PHE10C, PHE186A, PHE186C, PHE18A, PHE18C, PHE238A, PHE238C, PHE244A, PHE244C, PHE256A, PHE256C, PRO248A, PRO248C, PRO44A, PRO44C, SER12A, SER12C, SER192A, SER274A, SER274C, SER277A, SER277C, THR11A, THR11C, THR14A, THR14C, THR235A, THR235C, TRP275A, TRP275C, TYR-3A, TYR-3C, TYR272A, TYR272C, TYR7A, TYR7C, VAL188A, VAL230A, VAL230C, VAL252A, VAL252C, VAL278A, VAL278C, VAL280C, VAL47C
• B-C: ALA180C, ALA183C, ALA233C, ALA236C, ARG201B, ARG205B, ARG207B, ARG219B, ASN203B, ASP237C, GLN241C, GLU150C, GLU166B, GLU202B, GLU204B, GLU234C, GLY148C, GLY149C, GLY153C, GLY154C, HIS182C, HIS231C, ILE157C, ILE206B, LEU190C, LYS135B, MET185C, MET240C, PHE186C, PHE238C, PHE244C, SER175C, THR181C, THR184C, THR187C, THR235C, VAL188C, VAL200B, VAL208B, VAL227C, VAL230C
• B-D: ALA233B, ALA233D, ALA236B, ALA236D, ALA45B, ALA45D, ARG13B, ARG13D, ARG249B, ARG249D, ARG253B, ARG253D, ARG257B, ASN17B, ASN17D, ASP237B, ASP237D, ASP254B, ASP254D, ASP276B, ASP276D, ASP43B, ASP43D, CYS271B, CYS271D, GLN-1B, GLN-1D, GLN241B, GLN241D, GLN9B, GLN9D, GLU234B, GLU234D, GLU245B, GLU245D, GLU267B, GLU267D, GLU273D, GLY0B, GLY0D, GLY247B, GLY247D, GLY279D, HIS231B, HIS231D, ILE243B, ILE243D, ILE251B, ILE251D, ILE6B, ILE6D, LEU-4B, LEU15B, LEU15D, LEU16B, LEU16D, LEU239B, LEU239D, LEU264D, LEU268B, LEU268D, LYS74B, LYS74D, LYS8B, LYS8D, MET185B, MET185D, MET232B, MET232D, MET240B, MET240D, MET242B, MET242D, PHE-2B, PHE-2D, PHE10B, PHE10D, PHE18B, PHE18D, PHE238B, PHE238D, PHE244B, PHE244D, PHE256D, PRO248B, PRO248D, PRO44B, PRO44D, SER12B, SER12D, SER274B, SER274D, SER277B, SER277D, THR11B, THR11D, THR14B, THR14D, THR235B, THR235D, TRP275B, TRP275D, TYR-3B, TYR-3D, TYR272B, TYR272D, TYR7B, TYR7D, VAL230B, VAL252B, VAL252D, VAL278D, VAL280D, VAL47B, VAL47D