3K8E

crystal structure of e. coli lipopolysaccharide specific cmp-kdo synthetase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 100
  • Norm. En. per Res.: -3.358
• Hub Node: C(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
C-D	-38.1594	26.7156	-325.177	-336.6208	102	9	15	13426	0	30	32
C-B	-15.8417	32.1868	-24.049	-7.7039	41	4	0	1185	0	20	25
A-B	-40.254	50.4922	-346.038	-335.7998	100	9	16	14243	0	30	33

Interface residues

• C-D: ALA148C, ALA148D, ALA152C, ALA152D, ALA158C, ALA158D, ALA168C, ARG157C, ARG157D, ARG164C, ARG164D, ARG166C, ARG166D, ARG213C, ARG213D, ASN138D, ASN140D, ASN177C, ASN177D, ASP147C, ASP147D, ASP163C, ASP163D, ASP165C, ASP165D, ASP176C, ASP176D, GLU149C, GLU149D, GLU204D, GLU207C, GLU207D, GLU219C, GLU219D, GLY150C, GLY150D, GLY175C, GLY218C, GLY218D, HIS205C, HIS205D, ILE160C, ILE160D, ILE206C, ILE206D, LEU146C, LEU146D, LEU153C, LEU153D, LEU171C, LEU179D, LEU203C, LEU203D, LEU209C, LEU209D, LEU212C, LEU212D, LEU215C, LEU215D, LYS143C, LYS143D, LYS220C, LYS220D, MET208C, MET208D, PHE137C, PHE137D, PHE155C, PHE155D, PHE167C, PHE167D, PHE178C, PHE178D, PRO139C, PRO139D, PRO161C, PRO161D, PRO202C, PRO202D, SER156C, SER156D, SER201C, SER201D, THR159C, THR159D, TRP162C, TRP162D, TRP216C, TRP216D, TYR151C, TYR151D, TYR154C, TYR154D, TYR217C, TYR217D, VAL142D, VAL144C, VAL144D, VAL145C, VAL145D, VAL214C, VAL214D
• C-B: ALA245B, ALA245C, ARG166B, ARG166C, ARG242B, ARG242C, ARG244B, ARG244C, ASN25B, ASN25C, ASP176B, ASP176C, GLN227B, GLN227C, GLU169C, GLU172C, GLU228B, GLU228C, GLU241B, GLU241C, GLU246B, GLY175B, GLY175C, GLY231B, HIS131B, HIS131C, MET103B, MET103C, MET247B, PRO129B, PRO129C, THR173B, THR173C, VAL174B, VAL174C, VAL225B, VAL225C, VAL229B, VAL229C, VAL243B, VAL243C
• A-B: ALA148A, ALA148B, ALA152A, ALA152B, ALA158A, ALA158B, ALA168B, ARG157A, ARG157B, ARG164A, ARG164B, ARG166A, ARG166B, ARG213A, ARG213B, ASN140A, ASN140B, ASN177A, ASN177B, ASP147A, ASP147B, ASP163A, ASP163B, ASP165A, ASP165B, ASP176A, GLU149A, GLU149B, GLU204B, GLU207A, GLU207B, GLU219A, GLU219B, GLY150A, GLY150B, GLY175B, GLY218A, GLY218B, HIS205A, HIS205B, ILE160A, ILE160B, ILE206A, ILE206B, LEU146A, LEU146B, LEU153A, LEU153B, LEU203A, LEU203B, LEU209A, LEU209B, LEU212A, LEU212B, LEU215A, LEU215B, LYS143A, LYS143B, LYS220A, LYS220B, MET208A, MET208B, PHE137A, PHE137B, PHE155A, PHE155B, PHE167A, PHE167B, PHE178A, PHE178B, PRO139A, PRO139B, PRO161A, PRO161B, PRO202A, PRO202B, SER156A, SER156B, SER201A, SER201B, THR159A, THR159B, TRP162A, TRP162B, TRP216A, TRP216B, TYR151A, TYR151B, TYR154A, TYR154B, TYR217A, TYR217B, VAL142A, VAL142B, VAL144A, VAL144B, VAL145A, VAL145B, VAL214A, VAL214B