2YXG

crystal structure of dihyrodipicolinate synthase (dapa)

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 92
  • Norm. En. per Res.: -3.3315
• 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	-15.7706	-16.282	-385.029	-417.0816	135	13	5	16140	0	49	48
A-D	-19.8071	-11.5019	-275.193	-306.502	92	5	12	11296	1	35	29
B-C	-11.4315	-15.5527	-271.326	-298.3102	94	7	12	11278	2	35	26
C-D	-25.7558	-16.1535	-385.205	-427.1143	137	15	5	16235	0	50	48

Interface residues

• A-B: ALA139A, ALA139B, ALA84A, ALA84B, ARG115A, ARG115B, ARG137A, ARG137B, ARG265A, ARG265B, ASN107A, ASN107B, ASN246A, ASN246B, ASN79A, ASN79B, CYS269A, CYS269B, CYS80A, CYS80B, GLN111A, GLN111B, GLU112A, GLU112B, GLU244A, GLU244B, GLU270A, GLU270B, GLU46A, GLU46B, GLU54A, GLU54B, GLU82A, GLU82B, GLU83A, GLU83B, GLY113A, GLY113B, GLY119A, GLY119B, GLY42A, GLY42B, GLY45B, GLY77A, GLY77B, HIS117A, HIS117B, HIS275A, HIS275B, ILE102A, ILE102B, ILE243A, ILE243B, ILE248A, ILE248B, ILE85A, ILE85B, LEU100A, LEU114A, LEU114B, LEU266A, LEU266B, LEU268A, LEU268B, LEU50A, LEU50B, LYS108A, LYS108B, LYS116A, LYS116B, LYS120A, LYS120B, LYS161A, LYS161B, LYS16B, MET271A, MET271B, PHE118A, PHE118B, PHE242A, PHE242B, PRO104A, PRO104B, PRO109A, PRO109B, PRO135A, PRO135B, PRO247A, PRO247B, PRO249A, PRO249B, PRO267A, PRO267B, PRO48A, PRO48B, SER136A, SER136B, SER272A, SER272B, SER47A, SER47B, SER51A, SER51B, SER78A, SER78B, THR103A, THR103B, THR110A, THR110B, THR138A, THR138B, THR245A, THR245B, THR43A, THR43B, THR44A, THR44B, THR49A, THR49B, THR81A, THR81B, TYR105A, TYR105B, TYR106A, TYR106B, TYR132A, TYR132B, VAL121A, VAL121B, VAL134A, VAL134B, VAL140A, VAL140B, VAL41A, VAL41B
• A-D: ALA194A, ALA194D, ALA219A, ALA219D, ALA227A, ALA227D, ARG228A, ARG228D, ASN166A, ASN166D, ASN185A, ASN185D, ASP176A, ASP176D, ASP223A, ASP223D, GLN169A, GLN169D, GLU172A, GLU172D, GLU187A, GLU187D, GLU221A, GLU221D, GLU225A, GLU225D, GLY196A, GLY196D, GLY197A, GLY197D, GLY222A, GLY222D, HIS175A, HIS175D, HIS231A, HIS231D, ILE174A, ILE174D, ILE192A, ILE192D, ILE193A, ILE193D, LEU167A, LEU167D, LEU173A, LEU173D, LEU188A, LEU188D, LEU190A, LEU190D, LEU195A, LEU195D, LEU220A, LEU220D, LEU234A, LEU234D, LEU237D, LYS178D, LYS198A, LYS198D, LYS233A, LYS233D, LYS239A, LYS239D, MET238A, MET238D, PHE224A, PHE224D, PHE235A, PHE235D, PHE242A, PHE242D, PRO144A, PRO144D, PRO165A, PRO165D, PRO191A, PRO191D, PRO236A, PRO236D, SER168A, SER168D, SER171A, SER171D, THR189A, THR189D, TYR232A, TYR232D, VAL170A, VAL170D, VAL181A, VAL181D
• B-C: ALA177B, ALA177C, ALA194B, ALA194C, ALA219B, ALA219C, ALA227B, ALA227C, ARG228B, ARG228C, ASN166B, ASN166C, ASN185B, ASN185C, ASP176B, ASP176C, ASP223B, ASP223C, GLN169B, GLN169C, GLU172B, GLU172C, GLU187B, GLU187C, GLU221B, GLU221C, GLU225B, GLU225C, GLY196B, GLY196C, GLY197B, GLY197C, GLY222B, GLY222C, HIS175B, HIS175C, HIS231B, HIS231C, ILE174B, ILE174C, ILE192B, ILE192C, ILE193B, ILE193C, LEU167B, LEU167C, LEU173B, LEU173C, LEU188B, LEU188C, LEU190B, LEU190C, LEU195B, LEU195C, LEU220B, LEU220C, LEU234B, LEU234C, LEU237B, LEU237C, LYS198B, LYS198C, LYS233B, LYS233C, LYS239B, LYS239C, MET238B, MET238C, PHE224B, PHE224C, PHE235B, PHE235C, PHE242B, PHE242C, PRO144B, PRO144C, PRO165B, PRO165C, PRO191B, PRO191C, PRO236B, PRO236C, SER168B, SER168C, SER171B, SER171C, THR189B, THR189C, TYR232B, TYR232C, VAL170B, VAL170C, VAL181B, VAL181C
• C-D: ALA139C, ALA139D, ALA84C, ALA84D, ARG115C, ARG115D, ARG137C, ARG137D, ARG265C, ARG265D, ASN107C, ASN107D, ASN246C, ASN246D, ASN79C, ASN79D, CYS269C, CYS269D, CYS80C, CYS80D, GLN111C, GLN111D, GLU112C, GLU112D, GLU244C, GLU244D, GLU270C, GLU270D, GLU46C, GLU46D, GLU54C, GLU54D, GLU82C, GLU82D, GLU83C, GLU83D, GLY113C, GLY113D, GLY119C, GLY119D, GLY42C, GLY42D, GLY45D, GLY77C, GLY77D, HIS117C, HIS117D, HIS275C, HIS275D, ILE102C, ILE102D, ILE243C, ILE243D, ILE248C, ILE248D, ILE85C, ILE85D, LEU100C, LEU100D, LEU114C, LEU114D, LEU264C, LEU266C, LEU266D, LEU268C, LEU268D, LEU50C, LEU50D, LYS108C, LYS108D, LYS116C, LYS116D, LYS120C, LYS120D, LYS161C, LYS161D, LYS16C, LYS16D, MET271C, MET271D, PHE118C, PHE118D, PHE242C, PHE242D, PRO104C, PRO104D, PRO109C, PRO109D, PRO135C, PRO135D, PRO247C, PRO247D, PRO249C, PRO249D, PRO267C, PRO267D, PRO48C, PRO48D, SER136C, SER136D, SER272C, SER272D, SER47C, SER47D, SER51C, SER51D, SER78C, SER78D, THR103C, THR103D, THR110C, THR110D, THR138C, THR138D, THR245C, THR245D, THR43C, THR43D, THR44C, THR44D, THR49C, THR49D, THR81C, THR81D, TYR105C, TYR105D, TYR106C, TYR106D, TYR132C, TYR132D, VAL121C, VAL121D, VAL134C, VAL134D, VAL140C, VAL140D, VAL41D