3T4C

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

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 156
  • Norm. En. per Res.: -4.1307
• 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	0.0	0.0	-49.8132	-49.8132	20	0	0	1389	0	0	0
A-C	-10.5207	0.0	-152.906	-163.4267	93	1	6	6849	0	7	23
A-D	-61.4361	-92.0274	-388.2	-541.6636	155	12	19	17854	8	39	33
B-C	-77.6983	-131.9038	-434.786	-644.3881	156	15	20	19688	9	39	32
B-D	-11.6487	1.5625	-137.944	-148.0302	89	5	5	6456	0	4	20
C-D	0.0	0.0	-54.6822	-54.6822	18	3	0	1437	0	0	0

Interface residues

• A-B: ASN176A, ASN176B, ASN177A, ASN177B, GLN216B, GLY174A, GLY174B, LEU178A, LEU178B, LEU205A, LEU205B, PHE173A, PHE173B, SER172A, SER172B, SER180B, TYR175A, TYR175B, VAL179A, VAL179B
• A-C: ALA111A, ALA111C, ALA139A, ALA139C, ARG115A, ARG115C, ARG169A, ARG169C, ARG183A, ARG183C, ASN176A, ASN176C, ASN177A, ASN177C, ASP118A, ASP118C, ASP142A, ASP142C, ASP181A, ASP181C, ASP95A, ASP95C, CYS114A, CYS114C, GLN116A, GLN116C, GLN136A, GLN136C, GLN204A, GLN204C, GLU168A, GLU168C, GLU96A, GLU96C, GLY135A, GLY135C, GLY170A, GLY170C, GLY174A, GLY174C, HIS141A, HIS141C, HIS92A, HIS92C, ILE187A, ILE187C, ILE94A, ILE94C, LEU113A, LEU113C, LEU138A, LEU138C, LEU178A, LEU178C, LEU205A, LYS134A, LYS134C, LYS149C, LYS55A, MET182A, MET182C, PHE112A, PHE112C, PHE119A, PHE119C, PHE137A, PHE137C, PHE173A, PHE173C, PRO110A, PRO110C, PRO140A, PRO140C, PRO206A, PRO206C, SER172A, SER172C, SER180A, SER180C, SER184A, SER184C, SER93A, SER93C, THR117A, THR117C, TYR175A, TYR175C, VAL171A, VAL171C, VAL179A, VAL179C, VAL91A, VAL91C
• A-D: ALA139A, ALA139D, ALA186A, ALA186D, ALA224A, ALA224D, ALA226A, ALA226D, ALA227A, ALA227D, ALA229A, ALA229D, ALA253A, ALA261A, ALA261D, ALA272A, ALA272D, ARG183A, ARG183D, ARG189A, ARG189D, ARG217A, ARG217D, ARG225A, ARG225D, ARG258A, ARG258D, ARG275A, ARG275D, ASN176A, ASN176D, ASN177A, ASN177D, ASN257A, ASN257D, ASN281A, ASN281D, ASP181A, ASP181D, ASP270A, ASP270D, ASP282A, ASP282D, GLN136A, GLN136D, GLN204A, GLN204D, GLN216A, GLN216D, GLN271A, GLN271D, GLU218A, GLU218D, GLU264A, GLU264D, GLU280A, GLU280D, GLY170A, GLY174A, GLY174D, GLY231A, GLY231D, GLY260A, GLY260D, HIS141D, HIS276A, HIS276D, ILE187A, ILE187D, LEU10A, LEU10D, LEU138A, LEU138D, LEU178A, LEU178D, LEU185A, LEU185D, LEU205A, LEU205D, LEU223A, LEU223D, LEU262A, LEU262D, LEU263A, LEU263D, LEU266A, LEU266D, LEU269A, LEU269D, LEU279A, LEU279D, LYS274A, LYS274D, MET182A, MET182D, MET188A, MET188D, MET237A, MET237D, MET259A, MET259D, PHE137A, PHE137D, PHE173A, PHE173D, PHE197A, PHE197D, PHE219A, PHE219D, PHE278A, PHE278D, PRO140A, PRO140D, PRO206A, PRO206D, PRO221A, PRO221D, PRO255A, PRO255D, PRO277A, PRO277D, SER172A, SER172D, SER180A, SER180D, SER184A, SER184D, SER202A, SER202D, SER248A, SER248D, THR230A, THR230D, THR265A, THR265D, THR268A, THR268D, VAL171A, VAL171D, VAL179A, VAL179D, VAL203A, VAL203D, VAL220A, VAL220D, VAL222A, VAL222D, VAL228A, VAL228D, VAL254A, VAL254D, VAL267A, VAL267D, VAL273A, VAL273D
• B-C: ALA139B, ALA139C, ALA186B, ALA186C, ALA224B, ALA224C, ALA226B, ALA226C, ALA227B, ALA227C, ALA229B, ALA229C, ALA246C, ALA253C, ALA261B, ALA261C, ALA272B, ALA272C, ARG183B, ARG183C, ARG189B, ARG189C, ARG217B, ARG217C, ARG225B, ARG225C, ARG258B, ARG258C, ARG275B, ARG275C, ASN176B, ASN176C, ASN177B, ASN177C, ASN257B, ASN257C, ASN281B, ASN281C, ASP181B, ASP181C, ASP270B, ASP270C, ASP282B, ASP282C, GLN136B, GLN136C, GLN204B, GLN204C, GLN216B, GLN216C, GLN271B, GLN271C, GLU218B, GLU218C, GLU264B, GLU264C, GLU280B, GLU280C, GLY174B, GLY174C, GLY231B, GLY231C, GLY260B, GLY260C, HIS201B, HIS276B, HIS276C, ILE187B, ILE187C, LEU10B, LEU10C, LEU138B, LEU138C, LEU178B, LEU178C, LEU185B, LEU185C, LEU205B, LEU205C, LEU223B, LEU223C, LEU262B, LEU262C, LEU263B, LEU263C, LEU266B, LEU266C, LEU269B, LEU269C, LEU279B, LEU279C, LYS247C, LYS274B, LYS274C, MET182B, MET182C, MET188B, MET188C, MET237B, MET237C, MET259B, MET259C, PHE137B, PHE137C, PHE173B, PHE173C, PHE197B, PHE197C, PHE219B, PHE219C, PHE278B, PHE278C, PHE283B, PRO140B, PRO140C, PRO206B, PRO206C, PRO221B, PRO221C, PRO255B, PRO255C, PRO277B, PRO277C, SER172B, SER172C, SER180B, SER180C, SER184B, SER184C, SER202B, SER202C, SER248C, THR230B, THR230C, THR265B, THR265C, THR268B, THR268C, VAL171B, VAL171C, VAL179B, VAL179C, VAL203B, VAL203C, VAL220B, VAL220C, VAL222B, VAL222C, VAL228B, VAL228C, VAL254B, VAL254C, VAL267B, VAL267C, VAL273B, VAL273C
• B-D: ALA111B, ALA111D, ALA139B, ALA139D, ARG115B, ARG115D, ARG169B, ARG169D, ARG183B, ARG183D, ASN176B, ASN176D, ASN177B, ASN177D, ASP118B, ASP118D, ASP142B, ASP142D, ASP181B, ASP181D, ASP95B, ASP95D, CYS114B, CYS114D, GLN116B, GLN116D, GLN136B, GLN136D, GLU168B, GLU168D, GLU96B, GLU96D, GLY135B, GLY135D, GLY170B, GLY170D, GLY174B, GLY174D, HIS141B, HIS141D, HIS92B, HIS92D, ILE120B, ILE187B, ILE187D, ILE94B, ILE94D, LEU113B, LEU113D, LEU138B, LEU138D, LEU178B, LEU178D, LEU185B, LEU185D, LYS134B, LYS134D, MET182B, MET182D, PHE112B, PHE112D, PHE119B, PHE119D, PHE137B, PHE137D, PHE173B, PHE173D, PRO110B, PRO110D, PRO140B, PRO140D, PRO206B, PRO206D, SER172B, SER172D, SER180B, SER180D, SER184B, SER184D, SER93B, SER93D, THR117B, THR117D, TYR175B, TYR175D, VAL171B, VAL171D, VAL179B, VAL179D
• C-D: ASN176C, ASN176D, ASN177C, ASN177D, GLY174C, GLY174D, LEU178C, LEU178D, LEU205C, LEU205D, PHE173C, PHE173D, SER172C, SER172D, TYR175C, TYR175D, VAL179C, VAL179D