3FLU

crystal structure of dihydrodipicolinate synthase from the pathogen neisseria meningitidis

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -3.1584
• 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	-22.2777	9.0989	-397.414	-410.5928	130	9	7	16075	0	12	18
A-C	-11.0697	34.9093	-187.081	-163.2414	91	6	6	8272	4	12	23
B-D	-2.772	72.1864	-183.329	-113.9146	93	2	6	8230	0	13	22
C-D	-21.817	8.782	-404.922	-417.957	133	9	7	16216	0	12	18

Interface residues

• A-B: ALA49A, ALA49B, ALA79A, ALA79B, ALA85A, ALA85B, ARG138A, ARG138B, ARG267A, ARG267B, ASN108A, ASN108B, ASN134B, ASN80A, ASN80B, ASN81A, ASN81B, CYS245A, CYS245B, GLN112A, GLN112B, GLN117A, GLN117B, GLU113A, GLU113B, GLU246A, GLU246B, GLU47A, GLU47B, GLU55A, GLU55B, GLU84A, GLU84B, GLY114A, GLY114B, GLY137A, GLY137B, GLY17A, GLY43A, GLY43B, GLY78A, GLY78B, HIS118A, HIS118B, HIS56A, HIS56B, ILE115A, ILE115B, ILE122A, ILE122B, ILE86A, ILE86B, LEU101A, LEU101B, LEU268A, LEU268B, LEU270A, LEU270B, LEU51A, LEU51B, LYS109A, LYS109B, LYS120A, LYS120B, LYS161A, LYS161B, PHE119A, PHE119B, PHE244A, PHE244B, PRO105A, PRO105B, PRO110A, PRO110B, PRO136A, PRO136B, PRO247A, PRO247B, PRO249A, PRO249B, PRO269A, PRO269B, PRO272A, PRO272B, SER111A, SER111B, SER248A, SER248B, SER48A, SER48B, SER52A, SER52B, THR121A, THR121B, THR139A, THR139B, THR274A, THR274B, THR44A, THR44B, THR45A, THR45B, THR50A, THR50B, THR82A, THR82B, TYR106A, TYR106B, TYR107A, TYR107B, TYR116A, TYR116B, TYR133A, TYR133B, VAL103A, VAL103B, VAL104A, VAL104B, VAL135A, VAL135B, VAL140A, VAL140B, VAL141A, VAL141B, VAL271A, VAL271B, VAL53A, VAL53B, VAL83A, VAL83B
• A-C: ALA191A, ALA191C, ALA220A, ALA220C, ALA221A, ALA221C, ALA227A, ALA227C, ALA229A, ALA229C, ARG176A, ARG176C, ARG230A, ARG230C, ARG235A, ARG235C, ASN166A, ASN166C, ASN170A, ASN170C, ASN175A, ASN175C, ASN233A, ASN233C, ASP187A, ASP187C, ASP188A, ASP188C, ASP225A, ASP225C, ASP234A, ASP234C, ASP241A, ASP241C, CYS197A, CYS197C, GLN223A, GLN223C, GLU172A, GLU172C, GLU231A, GLU231C, GLY165A, GLY165C, GLY168A, GLY168C, GLY198A, GLY198C, GLY199A, GLY199C, GLY224A, GLY224C, HIS189A, HIS189C, HIS200A, ILE167A, ILE167C, ILE171A, ILE171C, ILE174A, ILE174C, ILE226A, ILE226C, ILE237A, ILE237C, LEU173A, LEU173C, LEU192A, LEU192C, LEU196A, LEU196C, LEU222A, LEU222C, LEU232A, LEU232C, LEU236A, LEU236C, MET195A, MET195C, PHE194A, PHE194C, PRO193A, PRO193C, PRO238A, PRO238C, SER169A, SER169C, THR190A, THR190C, TYR240A, TYR240C
• B-D: ALA177D, ALA191B, ALA191D, ALA220B, ALA220D, ALA221B, ALA221D, ALA227B, ALA227D, ALA229B, ALA229D, ARG176B, ARG176D, ARG230B, ARG230D, ARG235B, ARG235D, ASN166B, ASN166D, ASN170B, ASN170D, ASN175B, ASN175D, ASN233B, ASN233D, ASP187B, ASP187D, ASP188B, ASP188D, ASP225B, ASP225D, ASP234B, ASP234D, ASP241B, ASP241D, CYS197B, CYS197D, GLN223B, GLN223D, GLU172B, GLU172D, GLU231B, GLU231D, GLY165B, GLY165D, GLY168B, GLY168D, GLY198B, GLY198D, GLY199B, GLY199D, GLY224B, GLY224D, HIS189B, HIS189D, HIS200B, HIS200D, ILE167B, ILE167D, ILE171B, ILE171D, ILE174B, ILE174D, ILE226B, ILE226D, ILE237B, ILE237D, LEU173B, LEU173D, LEU192B, LEU192D, LEU196B, LEU196D, LEU222B, LEU222D, LEU232B, LEU232D, LEU236B, LEU236D, MET195B, MET195D, PHE194B, PHE194D, PRO193B, PRO193D, PRO238B, PRO238D, SER169B, SER169D, THR190B, THR190D, TYR240B, TYR240D
• C-D: ALA250D, ALA49C, ALA49D, ALA79C, ALA79D, ALA85C, ALA85D, ARG138C, ARG138D, ARG267C, ARG267D, ASN108C, ASN108D, ASN134C, ASN80C, ASN80D, ASN81C, ASN81D, CYS245C, CYS245D, GLN112C, GLN112D, GLN117C, GLN117D, GLU113C, GLU113D, GLU246C, GLU246D, GLU47C, GLU47D, GLU55C, GLU55D, GLU84C, GLU84D, GLY114C, GLY114D, GLY137C, GLY137D, GLY17C, GLY43C, GLY43D, GLY78C, GLY78D, HIS118C, HIS118D, HIS56C, HIS56D, ILE115C, ILE115D, ILE122C, ILE122D, ILE86C, ILE86D, LEU101C, LEU101D, LEU268C, LEU268D, LEU270C, LEU270D, LEU51C, LEU51D, LYS109C, LYS109D, LYS120C, LYS120D, LYS161C, LYS161D, PHE119C, PHE119D, PHE244C, PHE244D, PRO105C, PRO105D, PRO110C, PRO110D, PRO136C, PRO136D, PRO247C, PRO247D, PRO249C, PRO249D, PRO269C, PRO269D, PRO272C, PRO272D, SER102C, SER102D, SER111C, SER111D, SER248C, SER248D, SER48C, SER48D, SER52C, SER52D, THR121C, THR121D, THR139C, THR139D, THR274C, THR274D, THR44C, THR44D, THR45C, THR45D, THR50C, THR50D, THR82C, THR82D, TYR106C, TYR106D, TYR107C, TYR107D, TYR116C, TYR116D, TYR133C, TYR133D, VAL103C, VAL103D, VAL104C, VAL104D, VAL135C, VAL135D, VAL140C, VAL140D, VAL141C, VAL141D, VAL271C, VAL271D, VAL53C, VAL53D, VAL83C, VAL83D