3UE9

crystal structure of adenylosuccinate synthetase (ampsase) (pura) from burkholderia thailandensis

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 246
  • Norm. En. per Res.: -3.9774
• Hub Node: B(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	-108.5964	-229.3317	-630.066	-967.9941	248	28	15	26211	18	83	83
B-C	-18.3398	-20.0018	-93.7429	-132.0845	47	3	2	3525	8	19	18
B-D	-120.6515	-209.7586	-648.042	-978.4521	246	42	17	26860	18	87	83
C-D	0.0	0.0	-10.0686	-10.0686	22	0	0	663	0	3	0

Interface residues

• A-C: ALA112A, ALA112C, ALA146A, ALA146C, ALA155A, ALA155C, ALA212A, ALA212C, ALA255A, ALA255C, ALA257A, ALA257C, ALA258A, ALA258C, ALA259A, ALA259C, ALA260A, ALA260C, ALA262A, ALA262C, ALA331A, ALA372A, ALA372C, ALA379A, ALA379C, ALA380A, ALA380C, ALA423A, ALA423C, ARG127A, ARG127C, ARG153A, ARG153C, ARG154A, ARG154C, ARG157A, ARG157C, ARG170A, ARG170C, ARG172A, ARG172C, ARG216A, ARG216C, ARG217A, ARG217C, ARG334A, ARG334C, ARG335A, ARG335C, ARG377A, ARG377C, ARG384A, ARG384C, ASN174A, ASN174C, ASN179A, ASN179C, ASN252A, ASN252C, ASN270A, ASN270C, ASN340A, ASN340C, ASN80A, ASN80C, ASP124A, ASP124C, ASP149A, ASP149C, ASP160A, ASP160C, ASP163A, ASP163C, ASP176A, ASP176C, ASP213A, ASP213C, ASP239A, ASP239C, ASP241A, ASP241C, ASP371A, ASP371C, ASP373A, ASP373C, CYS253A, CYS253C, GLN159A, GLN159C, GLN184A, GLN184C, GLN234A, GLN234C, GLN267A, GLN267C, GLN338A, GLN338C, GLU111A, GLU111C, GLU148A, GLU148C, GLU173A, GLU173C, GLU220A, GLU220C, GLU381A, GLU381C, GLY140C, GLY144A, GLY144C, GLY152A, GLY152C, GLY187A, GLY243A, GLY243C, GLY256A, GLY256C, GLY261A, GLY261C, GLY263A, GLY263C, GLY265A, GLY265C, GLY341A, GLY341C, GLY378A, GLY378C, GLY424A, GLY424C, GLY79A, GLY79C, GLY81A, GLY81C, HIS178A, HIS178C, HIS223A, HIS223C, HIS242A, HIS242C, ILE123A, ILE123C, ILE143A, ILE143C, ILE240A, ILE240C, ILE272A, ILE272C, ILE337A, ILE337C, ILE339A, ILE339C, ILE367A, LEU156A, LEU156C, LEU175A, LEU175C, LEU182A, LEU182C, LEU186A, LEU186C, LEU218A, LEU218C, LEU238A, LEU238C, LEU269A, LEU269C, LEU374A, LEU374C, LEU375A, LEU375C, LYS150A, LYS150C, LYS268A, LYS268C, PHE162A, PHE162C, PHE177A, PHE177C, PHE180A, PHE180C, PHE247A, PHE247C, PHE43A, PHE43C, PRO145A, PRO145C, PRO246A, PRO246C, PRO266A, PRO266C, PRO376A, PRO376C, SER110A, SER110C, SER215A, SER215C, SER250A, SER250C, SER251A, SER251C, SER343A, SER343C, THR113A, THR113C, THR114A, THR114C, THR166A, THR166C, THR183A, THR183C, THR244A, THR244C, THR249A, THR249C, TYR147A, TYR147C, TYR185A, TYR185C, TYR219A, TYR219C, TYR245A, TYR245C, TYR271A, TYR271C, VAL151A, VAL151C, VAL15A, VAL15C, VAL181A, VAL181C, VAL211A, VAL211C, VAL214A, VAL214C, VAL248A, VAL248C, VAL254A, VAL254C, VAL264A, VAL264C, VAL342A, VAL342C, VAL382A, VAL382C, VAL425A, VAL425C, VAL82A, VAL82C
• B-C: ALA195C, ALA407B, ALA410B, ALA412B, ALA414B, ARG321C, ARG323C, ARG413B, ARG418B, ARG443B, ARG63C, ASN310C, ASN411B, ASP406B, GLN420B, GLU314C, GLU390B, GLU421B, GLU87C, GLU92C, GLU95C, GLY316C, GLY320C, ILE61C, LEU408B, LEU416B, LEU442B, LEU62C, LYS313C, PHE315C, PHE392B, PRO322C, PRO409B, SER317C, SER404B, THR199C, THR319C, THR417B, THR52C, THR60C, THR9B, TRP405B, TYR415B, VAL318C, VAL419B, VAL422B, VAL448B
• B-D: ALA112B, ALA112D, ALA146B, ALA146D, ALA155B, ALA155D, ALA212B, ALA212D, ALA255B, ALA255D, ALA257B, ALA257D, ALA258B, ALA258D, ALA259B, ALA259D, ALA260B, ALA260D, ALA262B, ALA262D, ALA372B, ALA372D, ALA379B, ALA379D, ALA380B, ALA380D, ALA423B, ALA423D, ARG127B, ARG127D, ARG153B, ARG153D, ARG154B, ARG154D, ARG157B, ARG157D, ARG170B, ARG170D, ARG172B, ARG172D, ARG216B, ARG216D, ARG217B, ARG217D, ARG334B, ARG334D, ARG335B, ARG335D, ARG377B, ARG377D, ARG384B, ARG384D, ASN174B, ASN174D, ASN179B, ASN179D, ASN252B, ASN252D, ASN270B, ASN270D, ASN340B, ASN340D, ASN80B, ASN80D, ASP124B, ASP124D, ASP149B, ASP149D, ASP160B, ASP160D, ASP163B, ASP163D, ASP176B, ASP176D, ASP213B, ASP213D, ASP239B, ASP239D, ASP241B, ASP241D, ASP371B, ASP371D, ASP373B, ASP373D, CYS253B, CYS253D, GLN159B, GLN159D, GLN184B, GLN184D, GLN234B, GLN234D, GLN267B, GLN267D, GLN338B, GLN338D, GLU111B, GLU111D, GLU148B, GLU148D, GLU173B, GLU173D, GLU220B, GLU220D, GLU381B, GLU381D, GLY144B, GLY144D, GLY152B, GLY152D, GLY187B, GLY243B, GLY243D, GLY256B, GLY256D, GLY261B, GLY261D, GLY263B, GLY263D, GLY265B, GLY265D, GLY341B, GLY341D, GLY378B, GLY378D, GLY424B, GLY424D, GLY79B, GLY79D, GLY81B, GLY81D, HIS178B, HIS178D, HIS223B, HIS223D, HIS242B, HIS242D, ILE123B, ILE123D, ILE143B, ILE143D, ILE240B, ILE240D, ILE272B, ILE272D, ILE337B, ILE337D, ILE339B, ILE339D, ILE367B, ILE367D, LEU156B, LEU156D, LEU175B, LEU175D, LEU182D, LEU186B, LEU186D, LEU218B, LEU218D, LEU238B, LEU238D, LEU269B, LEU269D, LEU374B, LEU374D, LEU375B, LEU375D, LYS150B, LYS150D, LYS268B, LYS268D, PHE162B, PHE162D, PHE177B, PHE177D, PHE180B, PHE180D, PHE247B, PHE247D, PHE43B, PHE43D, PRO145B, PRO145D, PRO246B, PRO246D, PRO266B, PRO266D, PRO376B, PRO376D, SER110B, SER110D, SER215B, SER215D, SER250B, SER250D, SER251B, SER251D, SER343B, SER343D, THR113B, THR113D, THR114B, THR114D, THR166B, THR166D, THR183B, THR183D, THR244B, THR244D, THR249B, THR249D, TYR147B, TYR147D, TYR185B, TYR185D, TYR219B, TYR219D, TYR245B, TYR245D, TYR271B, TYR271D, VAL151B, VAL151D, VAL15B, VAL15D, VAL181B, VAL181D, VAL211B, VAL211D, VAL214B, VAL214D, VAL248B, VAL248D, VAL254B, VAL254D, VAL264B, VAL264D, VAL342B, VAL342D, VAL382B, VAL382D, VAL425B, VAL425D, VAL82B, VAL82D
• C-D: ALA129C, ALA189C, ALA190C, ALA224D, ASN179C, ASN222D, ASP192C, GLN184C, GLY11D, GLY187C, GLY188C, GLY225D, HIS223D, LEU182C, LEU186C, PHE180C, PRO10D, THR183C, THR9D, TYR185C, VAL448D, VAL8D