3QY9

the crystal structure of dihydrodipicolinate reductase from staphylococcus aureus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 110
  • Norm. En. per Res.: -4.3591
• 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	-153.4115	-5.4187	-320.672	-479.5022	110	16	17	13481	2	51	21
A-C	-70.0427	21.6533	-402.016	-450.4054	122	13	5	14655	0	104	91
A-D	-35.7951	13.4854	-51.9593	-74.2689	37	3	0	1651	0	10	11
B-C	-32.5938	15.7039	-51.3714	-68.2613	32	0	0	1635	0	12	12
B-D	-73.157	25.958	-407.39	-454.589	121	14	5	14752	0	105	91
C-D	-158.365	-8.5386	-328.296	-495.1996	118	18	16	13998	2	54	22

Interface residues

• A-B: ALA112A, ALA112B, ALA118A, ALA118B, ALA119A, ALA119B, ALA120A, ALA120B, ALA198B, ALA210A, ALA210B, ARG17A, ARG209A, ARG209B, ARG226A, ARG226B, ASN218A, ASN218B, ASP125A, ASP125B, ASP126A, ASP126B, ASP201A, ASP201B, ASP214A, ASP214B, ASP238A, ASP238B, GLN205A, GLN205B, GLN211A, GLN211B, GLN222A, GLN222B, GLU192A, GLU192B, GLU194A, GLU194B, GLU202A, GLU202B, GLY109A, GLY109B, GLY191A, GLY191B, GLY199A, GLY199B, GLY219A, HIS111A, HIS111B, HIS193A, HIS193B, HIS208A, HIS208B, ILE116A, ILE116B, ILE204A, ILE204B, ILE206A, ILE206B, ILE215A, ILE215B, LEU113A, LEU113B, LEU117A, LEU117B, LEU123A, LEU123B, LEU124A, LEU124B, LEU18A, LEU18B, LEU196A, LEU196B, LYS115A, LYS115B, LYS213A, LYS213B, LYS22A, PHE127A, PHE127B, PHE197A, PHE197B, PHE216A, PHE216B, PHE237A, PHE237B, PRO122A, PRO122B, SER107A, SER107B, SER212A, SER212B, THR114A, THR114B, THR200A, THR200B, THR203A, THR203B, THR207A, THR207B, TYR108A, TYR108B, VAL110A, VAL110B, VAL121A, VAL121B, VAL190A, VAL190B, VAL195A, VAL195B
• A-C: ALA134A, ALA134C, ALA142A, ALA142C, ALA198A, ALA198C, ARG167A, ARG167C, ARG174A, ARG174C, ARG185A, ARG185C, ARG209A, ARG209C, ASN137A, ASN137C, ASN171A, ASN171C, ASP126A, ASP126C, ASP128A, ASP128C, ASP141A, ASP141C, ASP166A, ASP166C, ASP178A, ASP178C, ASP201A, ASP201C, GLN175A, GLN175C, GLN205A, GLN205C, GLN211A, GLU130A, GLU130C, GLU133A, GLU133C, GLU148A, GLU148C, GLU169A, GLU169C, GLU172A, GLU172C, GLU192A, GLU192C, GLU194A, GLU194C, GLU202A, GLU202C, GLY180A, GLY180C, GLY186A, GLY186C, GLY187A, GLY187C, GLY199A, GLY199C, HIS135A, HIS135C, HIS136A, HIS136C, HIS168A, HIS168C, HIS182A, HIS182C, ILE129A, ILE129C, ILE179A, ILE179C, ILE181A, ILE181C, ILE184A, ILE184C, ILE189A, ILE189C, ILE204A, ILE204C, LEU131A, LEU131C, LEU147A, LEU147C, LEU170A, LEU170C, LEU196A, LEU196C, LYS138A, LYS138C, LYS139A, LYS139C, LYS173A, LYS173C, PHE127A, PHE127C, PHE197A, PHE197C, PRO143A, PRO143C, PRO163A, PRO163C, PRO176A, PRO176C, SER144C, SER183A, SER183C, THR132A, THR132C, THR188A, THR188C, THR200A, THR200C, THR203A, THR203C, TYR165A, TYR165C, VAL140A, VAL140C, VAL164A, VAL164C, VAL190A, VAL190C
• A-D: ALA134D, ALA210A, ALA210D, ARG209A, ARG209D, ASN218A, ASN218D, ASP214A, ASP214D, GLN211A, GLN211D, GLU192A, GLU192D, GLU21D, GLY186D, GLY187A, GLY187D, GLY191A, GLY191D, HIS136A, HIS136D, ILE189A, ILE189D, ILE215A, ILE215D, LEU18D, LYS138A, LYS213A, LYS213D, SER212A, SER212D, THR188A, THR188D, THR207A, THR207D, VAL190A, VAL190D
• B-C: ALA210B, ALA210C, ARG17B, ARG17C, ARG209B, ARG209C, ASN218C, ASP214B, GLN211B, GLN211C, GLU192B, GLU192C, GLY187B, GLY187C, GLY191B, GLY191C, HIS136B, HIS136C, ILE189B, ILE189C, ILE215B, ILE215C, LYS213B, LYS213C, SER212B, SER212C, THR188B, THR188C, THR207B, THR207C, VAL190B, VAL190C
• B-D: ALA134B, ALA134D, ALA142B, ALA142D, ALA198B, ALA198D, ARG167B, ARG167D, ARG174B, ARG174D, ARG185B, ARG185D, ARG209B, ARG209D, ASN137B, ASN137D, ASN171B, ASN171D, ASP126B, ASP126D, ASP128B, ASP128D, ASP141B, ASP141D, ASP166B, ASP166D, ASP178B, ASP178D, ASP201B, ASP201D, GLN175B, GLN175D, GLN205B, GLN205D, GLN211B, GLN211D, GLU130B, GLU130D, GLU133B, GLU133D, GLU148B, GLU148D, GLU169B, GLU169D, GLU172B, GLU172D, GLU192B, GLU192D, GLU194B, GLU194D, GLU202B, GLU202D, GLY180B, GLY180D, GLY186B, GLY186D, GLY187B, GLY187D, GLY199B, GLY199D, HIS135B, HIS135D, HIS136B, HIS136D, HIS168B, HIS168D, HIS182B, HIS182D, ILE129B, ILE129D, ILE179B, ILE179D, ILE181B, ILE181D, ILE184B, ILE184D, ILE189B, ILE189D, ILE204B, ILE204D, LEU131B, LEU131D, LEU147B, LEU170B, LEU170D, LEU196B, LEU196D, LYS138B, LYS138D, LYS139B, LYS139D, LYS173B, LYS173D, PHE127B, PHE127D, PHE197B, PHE197D, PRO143B, PRO143D, PRO163B, PRO163D, PRO176B, PRO176D, SER183B, SER183D, THR132B, THR132D, THR188B, THR188D, THR200B, THR200D, THR203B, THR203D, TYR165B, TYR165D, VAL140B, VAL140D, VAL164B, VAL164D, VAL190B, VAL190D
• C-D: ALA112C, ALA112D, ALA118C, ALA118D, ALA119C, ALA119D, ALA120C, ALA120D, ALA210C, ALA210D, ALA217D, ARG14C, ARG14D, ARG17C, ARG17D, ARG209C, ARG209D, ARG226C, ARG226D, ASN218C, ASN218D, ASP125C, ASP125D, ASP126C, ASP126D, ASP201C, ASP201D, ASP214C, ASP214D, ASP238D, GLN205C, GLN205D, GLN211C, GLN211D, GLN222C, GLN222D, GLU192C, GLU192D, GLU194C, GLU194D, GLU202C, GLU202D, GLU21D, GLU225D, GLY109C, GLY109D, GLY191C, GLY191D, GLY199C, GLY199D, GLY219C, GLY219D, HIS111C, HIS111D, HIS193C, HIS193D, HIS208C, HIS208D, ILE116C, ILE116D, ILE204C, ILE204D, ILE206C, ILE206D, ILE215C, ILE215D, ILE221D, LEU113C, LEU113D, LEU117C, LEU117D, LEU123C, LEU123D, LEU124C, LEU124D, LEU18C, LEU18D, LEU196C, LEU196D, LYS115C, LYS115D, LYS213C, LYS213D, LYS22C, LYS22D, MET106D, PHE127C, PHE127D, PHE197C, PHE197D, PHE216C, PHE216D, PHE237C, PHE237D, PRO122C, PRO122D, SER107C, SER107D, SER212C, SER212D, THR114C, THR114D, THR200C, THR200D, THR203C, THR203D, THR207C, THR207D, TYR108C, TYR108D, VAL110C, VAL110D, VAL121C, VAL121D, VAL190C, VAL190D, VAL195C, VAL195D