3TML

crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from burkholderia cenocepacia

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 162
  • Norm. En. per Res.: -3.7888
• Hub Node: A(3)

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	-4.2827	-13.011	-18.1034	-35.3971	26	0	0	774	0	11	14
A-C	-57.0453	-103.6297	-453.118	-613.793	162	6	19	20204	8	30	26
A-D	0.0	0.0	-0.1744	-0.1744	5	0	0	47	0	0	1
B-C	0.0	15.4297	-10.2489	5.1807	10	1	0	524	0	1	4
B-D	-58.6325	-89.4286	-422.57	-570.6311	160	8	19	19269	8	29	26
C-D	-15.8771	12.4462	-60.0132	-63.4441	54	2	0	3050	0	26	26

Interface residues

• A-B: ALA272A, ARG275A, ARG275B, ASN276A, ASN44A, ASN44B, GLN271A, GLN271B, GLU264A, GLU264B, GLU41A, GLU41B, LEU43A, LEU43B, LYS42A, LYS42B, PRO13A, PRO13B, PRO46A, PRO46B, THR268A, THR268B, VAL267A, VAL267B, VAL45A, VAL45B
• A-C: ALA139A, ALA139C, ALA186A, ALA186C, ALA224A, ALA224C, ALA226A, ALA226C, ALA227A, ALA227C, ALA229A, ALA229C, ALA253A, ALA253C, ALA261A, ALA261C, ALA272A, ALA272C, ARG183A, ARG183C, ARG189A, ARG189C, ARG217A, ARG217C, ARG225A, ARG225C, ARG258A, ARG258C, ARG275A, ARG275C, ASN176A, ASN176C, ASN177A, ASN177C, ASN252C, ASN257A, ASN257C, ASN276A, ASN276C, ASN281A, ASN281C, ASP181A, ASP181C, ASP270A, ASP270C, ASP282A, ASP282C, GLN136A, GLN136C, GLN204A, GLN204C, GLN216A, GLN216C, GLN271A, GLN271C, GLU218A, GLU218C, GLU264A, GLU264C, GLU280A, GLU280C, GLY174A, GLY174C, GLY215C, GLY231A, GLY231C, GLY260A, GLY260C, ILE187A, ILE187C, LEU10A, LEU10C, LEU138A, LEU138C, LEU178A, LEU178C, LEU185A, LEU185C, LEU205A, LEU205C, LEU223A, LEU223C, LEU262A, LEU262C, LEU263A, LEU263C, LEU266A, LEU266C, LEU269A, LEU269C, LEU279A, LEU279C, LYS134A, LYS134C, LYS274A, LYS274C, MET182A, MET182C, MET188A, MET188C, MET237A, MET237C, MET259A, MET259C, PHE137A, PHE137C, PHE173A, PHE173C, PHE197A, PHE197C, PHE219A, PHE219C, PHE278A, PHE278C, PHE283A, PHE283C, PRO140A, PRO140C, PRO206A, PRO206C, PRO221A, PRO221C, PRO243A, PRO243C, PRO251A, PRO251C, PRO255A, PRO255C, PRO277A, PRO277C, SER172A, SER172C, SER180A, SER180C, SER184A, SER184C, SER202A, SER202C, THR230A, THR230C, THR265A, THR265C, THR268A, THR268C, VAL171A, VAL171C, VAL179A, VAL179C, VAL203A, VAL203C, VAL220A, VAL220C, VAL222A, VAL222C, VAL228A, VAL228C, VAL254A, VAL254C, VAL267A, VAL267C, VAL273A, VAL273C
• A-D: ALA272D, ARG275A, ARG275D, ASN276A, ASN276D
• B-C: ALA272B, ALA272C, ARG275B, ARG275C, ASN276B, ASN276C, GLN271B, GLN271C, THR268B, THR268C
• B-D: ALA139B, ALA139D, ALA186B, ALA186D, ALA224B, ALA224D, ALA226B, ALA226D, ALA227B, ALA227D, ALA229B, ALA229D, ALA253B, ALA253D, ALA261B, ALA261D, ALA272B, ALA272D, ARG183B, ARG183D, ARG189B, ARG189D, ARG217B, ARG217D, ARG225B, ARG225D, ARG258B, ARG258D, ARG275B, ARG275D, ASN176B, ASN176D, ASN177B, ASN177D, ASN257B, ASN257D, ASN276B, ASN276D, ASN281B, ASN281D, ASP181B, ASP181D, ASP270B, ASP270D, ASP282B, ASP282D, GLN136B, GLN136D, GLN204B, GLN204D, GLN216B, GLN216D, GLN271B, GLN271D, GLU218B, GLU218D, GLU264B, GLU264D, GLU280B, GLU280D, GLY174B, GLY174D, GLY231B, GLY231D, GLY260B, GLY260D, ILE187B, ILE187D, LEU10B, LEU10D, LEU138B, LEU138D, LEU178B, LEU178D, LEU185B, LEU185D, LEU205B, LEU205D, LEU223B, LEU223D, LEU262B, LEU262D, LEU263B, LEU263D, LEU266B, LEU266D, LEU269B, LEU269D, LEU279B, LEU279D, LYS134B, LYS134D, LYS274B, LYS274D, MET182B, MET182D, MET188B, MET188D, MET237B, MET237D, MET259B, MET259D, PHE137B, PHE137D, PHE173B, PHE173D, PHE197B, PHE197D, PHE219B, PHE219D, PHE278B, PHE278D, PHE283B, PHE283D, PRO140B, PRO140D, PRO206B, PRO206D, PRO221B, PRO221D, PRO243B, PRO243D, PRO251B, PRO251D, PRO255B, PRO255D, PRO277B, PRO277D, SER172B, SER172D, SER180B, SER180D, SER184B, SER184D, SER202B, SER202D, THR230B, THR230D, THR265B, THR265D, THR268B, THR268D, VAL171B, VAL171D, VAL179B, VAL179D, VAL203B, VAL203D, VAL220B, VAL220D, VAL222B, VAL222D, VAL228B, VAL228D, VAL254B, VAL254D, VAL267B, VAL267D, VAL273B, VAL273D
• C-D: ALA272D, ARG275C, ARG275D, ASN276D, ASN44C, ASN44D, ASP11C, ASP11D, ASP270C, ASP270D, ASP5C, ASP5D, CYS40C, CYS40D, GLN12C, GLN12D, GLN271C, GLN271D, GLU264C, GLU264D, GLU38C, GLU38D, GLU41C, GLU41D, GLU7C, GLU7D, ILE39C, LEU43C, LEU43D, LYS274C, LYS274D, LYS37C, LYS42C, LYS42D, PHE14C, PHE14D, PHE15C, PHE47C, PHE6C, PHE6D, PRO13C, PRO13D, PRO277D, PRO46C, PRO46D, SER0C, SER0D, THR268C, THR268D, VAL267C, VAL267D, VAL45C, VAL45D, VAL8C