3SI9

crystal structure of dihydrodipicolinate synthase from bartonella henselae

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 98
  • Norm. En. per Res.: -4.2252
• 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	-25.5946	-112.3494	-239.815	-377.759	100	12	9	10646	6	48	59
A-C	-7.3833	17.773	-392.882	-382.4924	135	10	5	15709	0	26	23
B-D	-7.3336	-5.202	-414.319	-426.8546	134	12	5	16121	1	26	23
C-D	-28.5566	-134.6956	-250.819	-414.0712	98	8	9	10617	6	48	61

Interface residues

• A-B: ALA175A, ALA175B, ALA196A, ALA196B, ALA201A, ALA201B, ALA234A, ALA234B, ALA289A, ARG174A, ARG174B, ARG179A, ARG179B, ARG246A, ARG246B, ASN200A, ASN200B, ASN238A, ASN238B, ASN245A, ASN245B, ASP192A, ASP192B, ASP193A, ASP193B, ASP230A, ASP230B, ASP239A, ASP239B, CYS194A, CYS194B, CYS226A, CYS226B, CYS228A, CYS228B, GLN178A, GLN178B, GLN188A, GLN188B, GLU173A, GLU173B, GLU177A, GLU177B, GLU180A, GLU180B, GLY170A, GLY170B, GLY198A, GLY198B, GLY203A, GLY203B, GLY204A, GLY204B, HIS202A, HIS202B, HIS292A, HIS292B, ILE172A, ILE172B, ILE250A, ILE285A, LEU197A, LEU197B, LEU222A, LEU222B, LEU227A, LEU227B, LEU235A, LEU235B, LYS171A, LYS171B, LYS181A, LYS181B, LYS184A, LYS184B, LYS232A, LYS232B, LYS236A, LYS236B, MET242A, MET242B, PHE199A, PHE199B, PRO243A, PRO243B, SER176A, SER176B, SER190A, SER229A, SER229B, THR169A, THR169B, THR195A, THR195B, THR233A, THR233B, TYR231A, TYR231B, VAL149A, VAL149B
• A-C: ALA168C, ALA255A, ALA255C, ALA89A, ALA89C, ARG113A, ARG113C, ARG117A, ARG117C, ARG142A, ARG142C, ARG272A, ARG272C, ASN112A, ASN112C, ASN115A, ASN115C, ASN138C, ASN84A, ASN84C, ASP280A, ASP280C, GLN116A, GLN116C, GLU251A, GLU251C, GLU51A, GLU51C, GLU88A, GLU88C, GLY118A, GLY118C, GLY47A, GLY47C, GLY82A, GLY82C, HIS122A, HIS122C, HIS57A, HIS57C, ILE126C, ILE139A, ILE139C, ILE145A, ILE145C, ILE250A, ILE250C, ILE275A, ILE275C, LEU105A, LEU105C, LEU119A, LEU119C, LEU278A, LEU278C, LEU55A, LEU55C, LYS166A, LYS166C, PHE123A, PHE123C, PHE249A, PHE249C, PRO109A, PRO109C, PRO114A, PRO114C, PRO140A, PRO140C, PRO252A, PRO252C, PRO254A, PRO254C, PRO274A, PRO274C, PRO277A, PRO277C, PRO53A, PRO53C, SER124A, SER124C, SER125A, SER125C, SER141A, SER141C, SER143A, SER143C, SER253A, SER253C, SER273A, SER273C, SER279A, SER279C, SER52A, SER52C, SER83A, SER83C, SER85A, SER85C, SER87A, SER87C, THR108A, THR108C, THR121A, THR121C, THR282A, THR282C, THR48A, THR48C, THR49A, THR49C, THR54A, THR54C, THR56A, THR56C, THR86A, THR86C, TYR110A, TYR110C, TYR111A, TYR111C, TYR120A, TYR120C, TYR137A, TYR137C, VAL106A, VAL107A, VAL107C, VAL144A, VAL144C, VAL271C, VAL276A, VAL276C, VAL90A, VAL90C
• B-D: ALA168D, ALA255B, ALA255D, ALA89B, ALA89D, ARG113B, ARG113D, ARG117B, ARG117D, ARG142B, ARG142D, ARG272B, ARG272D, ASN112B, ASN112D, ASN115B, ASN115D, ASN138D, ASN84B, ASN84D, ASP280B, ASP280D, GLN116B, GLN116D, GLU251B, GLU251D, GLU51B, GLU51D, GLU88B, GLU88D, GLY118B, GLY118D, GLY47B, GLY47D, GLY82B, GLY82D, HIS122B, HIS122D, HIS57B, HIS57D, ILE126D, ILE139B, ILE139D, ILE145B, ILE145D, ILE250B, ILE250D, ILE275B, ILE275D, LEU105B, LEU105D, LEU119B, LEU119D, LEU278B, LEU278D, LEU55B, LEU55D, LYS166B, LYS166D, LYS283D, PHE123B, PHE123D, PHE249D, PRO109B, PRO109D, PRO114B, PRO114D, PRO140B, PRO140D, PRO252B, PRO252D, PRO254B, PRO254D, PRO274B, PRO274D, PRO277B, PRO277D, PRO53B, PRO53D, SER124B, SER125B, SER125D, SER141B, SER141D, SER143B, SER143D, SER253B, SER253D, SER273B, SER273D, SER279B, SER279D, SER52B, SER52D, SER83B, SER83D, SER85B, SER85D, SER87B, SER87D, THR108B, THR108D, THR121B, THR121D, THR282B, THR282D, THR48B, THR48D, THR49B, THR49D, THR54B, THR54D, THR56B, THR56D, THR86B, THR86D, TYR110B, TYR110D, TYR111B, TYR111D, TYR120B, TYR120D, TYR137B, TYR137D, VAL107B, VAL107D, VAL144B, VAL144D, VAL271B, VAL271D, VAL276B, VAL276D, VAL90B, VAL90D
• C-D: ALA175C, ALA175D, ALA196C, ALA196D, ALA201C, ALA201D, ALA234C, ALA234D, ALA289D, ARG174C, ARG174D, ARG179C, ARG179D, ARG246C, ARG246D, ASN200C, ASN200D, ASN238C, ASN238D, ASN245C, ASN245D, ASP192C, ASP192D, ASP193C, ASP193D, ASP230C, ASP230D, ASP239C, ASP239D, CYS194C, CYS194D, CYS226C, CYS226D, CYS228C, CYS228D, GLN178C, GLN178D, GLN188C, GLN188D, GLU173C, GLU173D, GLU177C, GLU177D, GLU180C, GLU180D, GLY170C, GLY170D, GLY198C, GLY198D, GLY203C, GLY203D, GLY204C, GLY204D, HIS202C, HIS202D, HIS292C, HIS292D, ILE172C, ILE172D, ILE250D, ILE285D, LEU197C, LEU197D, LEU222C, LEU222D, LEU227D, LEU235C, LEU235D, LYS171C, LYS171D, LYS181C, LYS181D, LYS184C, LYS184D, LYS232C, LYS232D, LYS236C, LYS236D, MET242C, MET242D, PHE199C, PHE199D, PRO243C, PRO243D, SER176C, SER176D, SER229C, SER229D, THR169C, THR169D, THR195C, THR195D, THR233C, THR233D, TYR231C, TYR231D, VAL149C, VAL149D