3SZ8

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

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 140
  • Norm. En. per Res.: -3.5987
• 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	-79.9481	-45.8539	-346.239	-472.041	140	8	6	13465	8	37	47
A-C	-29.2193	-64.4422	-373.571	-467.2326	137	15	22	15616	4	14	23
A-D	0.0	0.0	-47.1462	-47.1462	16	0	0	1239	0	0	1
B-C	0.0	0.0	-48.5415	-48.5415	16	0	0	1284	0	0	1
B-D	-46.5494	-56.5713	-400.699	-503.8197	140	19	23	16810	4	18	30
C-D	-76.0967	-44.7805	-343.659	-464.5361	141	9	6	13494	8	37	47

Interface residues

• A-B: ALA114A, ALA114B, ALA117A, ALA117B, ALA127A, ALA127B, ALA59A, ALA59B, ALA97A, ALA97B, ARG118A, ARG118B, ARG166B, ARG61A, ARG61B, ARG68A, ARG68B, ASN174A, ASN174B, ASN60A, ASN60B, ASP121A, ASP121B, ASP173A, ASP173B, ASP178A, ASP178B, ASP248A, ASP57A, ASP57B, CYS153A, CYS153B, GLN119A, GLN119B, GLN139A, GLN139B, GLN145A, GLN145B, GLN184A, GLN184B, GLN99A, GLN99B, GLU155A, GLU155B, GLU165A, GLU165B, GLU96A, GLU96B, GLU98A, GLU98B, GLY154A, GLY154B, GLY157A, GLY157B, GLY167A, GLY167B, GLY171A, GLY171B, GLY181A, GLY181B, GLY249A, HIS148A, HIS148B, HIS65A, HIS65B, HIS95A, HIS95B, ILE64A, ILE64B, LEU116A, LEU116B, LEU122A, LEU122B, LEU175A, LEU175B, LEU180A, LEU180B, LYS128A, LYS128B, LYS137A, LYS137B, LYS147A, LYS147B, LYS152A, LYS152B, LYS58A, LYS58B, MET141A, MET141B, MET179A, MET179B, MET185B, PHE115A, PHE115B, PHE140A, PHE140B, PHE170A, PHE170B, PRO113A, PRO113B, PRO138A, PRO138B, PRO143A, PRO143B, PRO250A, PRO250B, SER142A, SER142B, SER151A, SER151B, SER168A, SER168B, SER169A, SER169B, SER62A, SER62B, SER63A, SER63B, SER66A, SER66B, THR120A, THR120B, THR144A, THR144B, TYR172A, TYR172B, VAL123A, VAL123B, VAL124A, VAL124B, VAL149A, VAL149B, VAL156A, VAL156B, VAL176A, VAL176B, VAL177A, VAL177B, VAL94A, VAL94B
• A-C: ALA186A, ALA223A, ALA223C, ALA225A, ALA225C, ALA228A, ALA228C, ALA267A, ALA267C, ALA277A, ALA277C, ARG183A, ARG183C, ARG224A, ARG224C, ARG274A, ARG274C, ASN174A, ASN174C, ASP178A, ASP178C, ASP221A, ASP221C, ASP269A, ASP269C, ASP270A, ASP270C, GLN139A, GLN139C, GLN184A, GLN184C, GLN218A, GLN218C, GLN257A, GLN257C, GLN264A, GLN264C, GLU187A, GLU187C, GLU259C, GLU279C, GLY167A, GLY167C, GLY171A, GLY171C, GLY181A, GLY181C, GLY226A, GLY226C, GLY230A, GLY230C, GLY260A, GLY260C, HIS256A, HIS256C, ILE227A, ILE227C, ILE231A, ILE231C, ILE268A, ILE268C, LEU175A, LEU175C, LEU180A, LEU180C, LEU202A, LEU202C, LEU220A, LEU220C, LEU222A, LEU222C, LEU236C, LEU253A, LEU253C, LEU258A, LEU258C, LEU261A, LEU261C, LEU262A, LEU262C, LEU271A, LEU271C, LEU278A, LEU278C, LYS137A, LYS137C, LYS266A, LYS266C, LYS273A, LYS273C, MET141A, MET141C, MET179A, MET179C, MET185A, MET185C, MET265A, MET265C, MET275A, MET275C, PHE140A, PHE140C, PHE170A, PHE170C, PHE182A, PHE182C, PHE196A, PHE196C, PRO143A, PRO143C, PRO254A, PRO254C, PRO276A, PRO276C, SER142A, SER142C, SER168A, SER168C, SER169A, SER169C, SER201A, SER201C, SER263A, SER263C, THR144C, VAL176A, VAL176C, VAL177A, VAL177C, VAL198A, VAL198C, VAL219A, VAL219C, VAL229A, VAL229C, VAL272A, VAL272C
• A-D: ASN174A, ASN174D, ASP173A, ASP173D, GLY171A, GLY171D, LEU175A, LEU175D, PHE170A, PHE170D, SER169A, SER169D, TYR172A, TYR172D, VAL176A, VAL176D
• B-C: ASN174B, ASN174C, ASP173B, ASP173C, GLY171B, GLY171C, LEU175B, LEU175C, PHE170B, PHE170C, SER169B, SER169C, TYR172B, TYR172C, VAL176B, VAL176C
• B-D: ALA186B, ALA186D, ALA223B, ALA223D, ALA225B, ALA225D, ALA228B, ALA228D, ALA267B, ALA267D, ALA277B, ALA277D, ARG183B, ARG183D, ARG217B, ARG224B, ARG224D, ARG274B, ARG274D, ASN174B, ASN174D, ASP178B, ASP178D, ASP221B, ASP221D, ASP269B, ASP269D, ASP270B, ASP270D, GLN139B, GLN139D, GLN184B, GLN184D, GLN218B, GLN218D, GLN257B, GLN257D, GLN264B, GLN264D, GLU187B, GLU187D, GLU259B, GLU259D, GLU279B, GLU279D, GLY167B, GLY167D, GLY171B, GLY171D, GLY181B, GLY181D, GLY226B, GLY226D, GLY230B, GLY230D, GLY260B, GLY260D, HIS256B, HIS256D, ILE227B, ILE227D, ILE231B, ILE231D, ILE268B, ILE268D, LEU175B, LEU175D, LEU180B, LEU180D, LEU202B, LEU202D, LEU220B, LEU220D, LEU222B, LEU222D, LEU236B, LEU253B, LEU253D, LEU258B, LEU258D, LEU261B, LEU261D, LEU262B, LEU262D, LEU271B, LEU271D, LEU278B, LEU278D, LYS137B, LYS137D, LYS266B, LYS266D, LYS273B, LYS273D, MET141B, MET141D, MET179B, MET179D, MET185B, MET185D, MET265B, MET265D, MET275B, MET275D, PHE140B, PHE140D, PHE170B, PHE170D, PHE182B, PHE182D, PHE196B, PHE196D, PRO143B, PRO143D, PRO254B, PRO254D, PRO276B, PRO276D, SER142B, SER142D, SER168B, SER168D, SER169B, SER169D, SER201B, SER201D, SER263B, SER263D, VAL176B, VAL176D, VAL177B, VAL177D, VAL198B, VAL198D, VAL219B, VAL219D, VAL229B, VAL229D, VAL272B, VAL272D
• C-D: ALA114C, ALA114D, ALA117C, ALA117D, ALA127C, ALA127D, ALA59C, ALA59D, ALA97C, ALA97D, ARG118C, ARG118D, ARG166D, ARG61C, ARG61D, ARG68C, ARG68D, ASN174C, ASN174D, ASN60C, ASN60D, ASP121C, ASP121D, ASP173C, ASP173D, ASP178C, ASP178D, ASP248C, ASP57C, ASP57D, CYS153C, CYS153D, GLN119C, GLN119D, GLN139C, GLN139D, GLN145C, GLN145D, GLN184C, GLN184D, GLN99C, GLN99D, GLU155C, GLU155D, GLU165C, GLU165D, GLU96C, GLU96D, GLY154C, GLY154D, GLY157C, GLY157D, GLY167C, GLY167D, GLY171C, GLY171D, GLY181C, GLY181D, GLY249C, HIS148C, HIS148D, HIS65C, HIS65D, HIS95C, HIS95D, ILE64C, ILE64D, LEU116C, LEU116D, LEU122C, LEU122D, LEU175C, LEU175D, LEU180C, LEU180D, LYS128C, LYS128D, LYS137C, LYS137D, LYS147C, LYS147D, LYS152C, LYS152D, LYS58C, LYS58D, MET141C, MET141D, MET179C, MET179D, MET185C, MET185D, PHE115C, PHE115D, PHE140C, PHE140D, PHE170C, PHE170D, PHE182C, PHE182D, PRO113C, PRO113D, PRO138C, PRO138D, PRO143C, PRO143D, PRO250C, PRO250D, SER142C, SER142D, SER151C, SER151D, SER168C, SER168D, SER169C, SER169D, SER62C, SER62D, SER63C, SER63D, SER66C, SER66D, THR120C, THR120D, THR144C, THR144D, TYR172C, TYR172D, VAL123C, VAL123D, VAL124C, VAL124D, VAL149C, VAL149D, VAL156C, VAL156D, VAL176C, VAL176D, VAL177C, VAL177D, VAL94C, VAL94D