3FSX

structure of tetrahydrodipicolinate n-succinyltransferase (rv1201c; dapd) from mycobacterium tuberculosis

• Total interactions analyzed: 10
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 191
  • Norm. En. per Res.: -2.8591
• 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	-97.6789	-5.4204	-451.141	-554.2403	195	21	17	18249	4	55	52
A-C	-76.3049	23.1391	-383.277	-436.4428	174	16	13	15886	3	54	51
A-D	-13.8696	-37.4097	-59.1527	-110.432	59	2	0	3280	2	32	34
B-C	-99.9424	-8.8643	-437.272	-546.0787	191	24	17	18298	3	54	52
B-D	-14.7548	0.0	-59.6585	-74.4133	35	7	0	2115	0	5	2
D-E	-4.3937	0.0	-38.0934	-42.4871	20	1	0	1401	0	5	1

Interface residues

• A-B: ALA123B, ALA129B, ALA132B, ALA13A, ALA163A, ALA165A, ALA165B, ALA204B, ALA218A, ALA218B, ALA242A, ALA242B, ALA258A, ALA264B, ALA278B, ALA28A, ALA297A, ALA297B, ALA52A, ALA53A, ARG131B, ARG133B, ARG135B, ARG136B, ARG137A, ARG137B, ARG150A, ARG150B, ARG161A, ARG167A, ARG167B, ARG169B, ARG201A, ARG201B, ARG267B, ARG290A, ARG291A, ARG291B, ARG303A, ARG61A, ASN113B, ASN118A, ASN118B, ASN187B, ASN243A, ASN243B, ASN292A, ASN292B, ASP125B, ASP146B, ASP153A, ASP164A, ASP164B, ASP166A, ASP166B, ASP213A, ASP23A, ASP58A, CYS122B, CYS238A, CYS254A, GLU128B, GLU183A, GLU183B, GLU199A, GLU257A, GLU299B, GLU50A, GLY120A, GLY126B, GLY138B, GLY144B, GLY159A, GLY177A, GLY184A, GLY184B, GLY200A, GLY200B, GLY215A, GLY216A, GLY216B, GLY217A, GLY217B, GLY222B, GLY226B, GLY241A, GLY241B, GLY245B, GLY247B, GLY259A, GLY259B, GLY265B, GLY296A, GLY296B, HIS119A, HIS182A, HIS182B, HIS90A, HIS94A, ILE124B, ILE162A, ILE220B, ILE55A, ILE66A, LEU111B, LEU12A, LEU134B, LEU170A, LEU170B, LEU174A, LEU224B, LEU239A, LEU240A, LEU246B, LEU260A, LEU260B, LEU288A, LEU51A, LEU54A, LYS147B, LYS277B, MET151A, MET151B, MET181A, MET197A, MET221B, PHE108B, PHE127B, PHE148B, PHE185B, PHE26A, PHE289A, PRO121A, PRO139B, PRO149B, PRO157A, PRO27A, PRO29A, SER203B, SER219B, SER225B, SER244A, SER244B, SER275B, SER293A, SER295A, SER295B, THR112B, THR117A, THR117B, THR141A, THR141B, THR14A, THR158A, THR178A, THR179A, THR223B, THR24A, THR263B, THR266B, THR269B, THR65A, TRP116A, TRP116B, TRP25A, TYR143A, TYR143B, TYR154A, TYR188B, TYR261A, TYR261B, VAL114B, VAL115B, VAL130B, VAL140B, VAL142B, VAL145B, VAL152A, VAL155A, VAL156A, VAL160A, VAL168B, VAL180A, VAL186B, VAL214A, VAL255A, VAL256A, VAL262B, VAL268B, VAL276B, VAL294A, VAL294B, VAL298A, VAL298B, VAL49A
• A-C: ALA123A, ALA129A, ALA132A, ALA13C, ALA163C, ALA165A, ALA165C, ALA204A, ALA218A, ALA218C, ALA242A, ALA242C, ALA258C, ALA278A, ALA28C, ALA297A, ALA297C, ALA52C, ALA53C, ARG131A, ARG133A, ARG135A, ARG136A, ARG137A, ARG137C, ARG150A, ARG150C, ARG161C, ARG167A, ARG167C, ARG169A, ARG201A, ARG201C, ARG267A, ARG290C, ARG291A, ARG291C, ARG61C, ASN113A, ASN118A, ASN118C, ASN187A, ASN243A, ASN243C, ASN292A, ASN292C, ASP125A, ASP146A, ASP153C, ASP164A, ASP164C, ASP166A, ASP166C, ASP23C, ASP58C, CYS122A, GLU128A, GLU183A, GLU183C, GLU199C, GLU257C, GLU299A, GLU50C, GLY11C, GLY120C, GLY126A, GLY138A, GLY144A, GLY159C, GLY184A, GLY184C, GLY200A, GLY200C, GLY215C, GLY216A, GLY216C, GLY217A, GLY217C, GLY241A, GLY241C, GLY245A, GLY247A, GLY259A, GLY259C, GLY265A, GLY296A, GLY296C, HIS119C, HIS182A, HIS182C, HIS90C, HIS94C, ILE124A, ILE162C, ILE220A, ILE55C, ILE66C, LEU111A, LEU12C, LEU134A, LEU170A, LEU246A, LEU260A, LEU260C, LEU51C, LEU54C, LYS147A, LYS277A, MET151A, MET151C, MET181C, MET197C, MET221A, PHE108A, PHE127A, PHE148A, PHE185A, PHE26C, PRO121C, PRO139A, PRO149A, PRO157C, PRO27C, SER203A, SER219A, SER244A, SER244C, SER275A, SER293C, SER295A, SER295C, THR112A, THR117A, THR117C, THR141A, THR141C, THR14C, THR158C, THR178C, THR179C, THR24C, THR263A, THR266A, THR269A, THR65C, TRP116A, TRP116C, TRP25C, TYR143A, TYR143C, TYR154C, TYR188A, TYR261A, VAL114A, VAL115A, VAL130A, VAL140A, VAL142A, VAL145A, VAL152C, VAL155C, VAL156C, VAL160C, VAL168A, VAL180C, VAL186A, VAL262A, VAL268A, VAL276A, VAL294A, VAL294C, VAL298A, VAL298C, VAL49C
• A-D: ALA195A, ALA195D, ALA258A, ALA258D, ALA302A, ALA302D, ARG237A, ARG237D, ARG290A, ARG290D, ARG303A, ARG303D, ASN286A, ASN286D, ASP210A, ASP210D, ASP213A, ASP213D, ASP253A, ASP253D, ASP304A, ASP304D, CYS238A, CYS238D, CYS254A, CYS254D, GLN306A, GLN306D, GLU257A, GLU257D, GLY177A, GLY177D, GLY194A, GLY194D, GLY211A, GLY211D, GLY241D, GLY305A, GLY305D, LEU239A, LEU239D, LEU287D, LEU288A, LEU288D, LEU301A, LEU301D, LYS236A, LYS236D, MET197A, MET197D, PHE289D, PRO176A, SER196A, SER196D, SER212A, SER212D, VAL255A, VAL255D, VAL256D
• B-C: ALA123C, ALA129C, ALA132C, ALA13B, ALA163B, ALA165B, ALA165C, ALA204C, ALA218B, ALA218C, ALA242B, ALA242C, ALA258B, ALA278C, ALA28B, ALA297B, ALA297C, ALA52B, ALA53B, ARG131C, ARG133C, ARG135C, ARG136C, ARG137B, ARG137C, ARG150B, ARG150C, ARG161B, ARG167B, ARG167C, ARG169C, ARG201B, ARG201C, ARG267C, ARG290B, ARG291B, ARG291C, ARG303B, ARG61B, ASN113C, ASN118B, ASN118C, ASN187C, ASN243B, ASN243C, ASN292B, ASN292C, ASP125C, ASP146C, ASP153B, ASP164B, ASP164C, ASP166B, ASP166C, ASP213B, ASP23B, ASP58B, CYS122C, CYS238B, CYS254B, GLU128C, GLU183B, GLU183C, GLU199B, GLU257B, GLU299C, GLU50B, GLY11B, GLY120B, GLY126C, GLY138C, GLY144C, GLY159B, GLY177B, GLY184B, GLY184C, GLY200B, GLY200C, GLY215B, GLY216B, GLY216C, GLY217B, GLY217C, GLY222C, GLY226C, GLY241B, GLY241C, GLY245C, GLY247C, GLY259B, GLY259C, GLY265C, GLY296B, GLY296C, HIS119B, HIS182B, HIS182C, HIS90B, HIS94B, ILE124C, ILE162B, ILE220C, ILE55B, LEU111C, LEU12B, LEU134C, LEU170C, LEU174B, LEU224C, LEU239B, LEU240B, LEU246C, LEU260B, LEU260C, LEU288B, LEU51B, LEU54B, LYS147C, LYS277C, MET151B, MET151C, MET181B, MET197B, MET221C, PHE108C, PHE127C, PHE148C, PHE185C, PHE26B, PHE289B, PRO121B, PRO139C, PRO149C, PRO157B, PRO27B, PRO29B, PRO48B, SER203C, SER219C, SER225C, SER244B, SER244C, SER275C, SER293B, SER295B, SER295C, THR112C, THR117B, THR117C, THR141B, THR141C, THR14B, THR158B, THR178B, THR179B, THR223C, THR24B, THR263C, THR266C, THR269C, THR65B, TRP116B, TRP116C, TRP25B, TYR143B, TYR143C, TYR154B, TYR188C, TYR261C, VAL114C, VAL115C, VAL130C, VAL140C, VAL142C, VAL145C, VAL152B, VAL155B, VAL156B, VAL160B, VAL168C, VAL180B, VAL186C, VAL214B, VAL255B, VAL256B, VAL262C, VAL268C, VAL276C, VAL294B, VAL298C, VAL49B
• B-D: ALA264B, ALA278B, ALA302D, ALA309D, ARG237D, ARG279B, ARG303D, ASN286D, ASP272D, ASP304D, GLN306D, GLY222B, GLY226B, GLY227B, GLY228B, GLY247B, GLY265B, GLY305D, GLY307D, HIS230B, ILE248B, ILE308D, LEU224B, LEU310D, LYS277B, PRO271D, SER225B, SER284D, SER285D, THR223B, THR229B, THR263B, THR266B, TYR261B, VAL262B
• D-E: ARG267D, ARG267E, ASN274D, ASN274E, ASP272D, ASP272E, GLU280D, GLU280E, LYS277D, LYS277E, MET270D, MET270E, SER273D, SER273E, SER275D, SER275E, THR269D, THR269E, VAL276D, VAL276E