3K8D

crystal structure of e. coli lipopolysaccharide specific cmp-kdo synthetase in complex with ctp and 2-deoxy-kdo

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 118
  • Norm. En. per Res.: -3.2082
• 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	0.0	0.0	-7.3844	-7.3844	15	0	1	329	0	5	7
A-D	-63.0295	82.1142	-388.05	-368.9653	118	14	15	15413	0	40	42
B-C	-62.9274	80.9771	-396.621	-378.5713	118	10	15	15443	0	40	41
B-D	-18.4097	-19.9482	-65.8447	-104.2027	41	2	0	2450	4	17	14

Interface residues

• A-B: ALA148A, ALA57B, ALA60B, ALA61B, ARG56B, ASP147A, GLN120A, GLU149A, GLU59B, GLY150A, GLY26B, GLY62B, LYS27B, PRO28B, VAL31B
• A-D: ALA148A, ALA148D, ALA152A, ALA152D, ALA158A, ALA158D, ALA168A, ALA168D, ARG10A, ARG10D, ARG157A, ARG157D, ARG15A, ARG15D, ARG164A, ARG164D, ARG166A, ARG166D, ARG213A, ARG213D, ASN140A, ASN140D, ASN177A, ASN177D, ASP147A, ASP147D, ASP163A, ASP163D, ASP165A, ASP165D, ASP176A, ASP176D, ASP235A, ASP235D, GLU149A, GLU149D, GLU204A, GLU204D, GLU207A, GLU207D, GLU219A, GLU219D, GLY150A, GLY150D, GLY175A, GLY175D, GLY218A, GLY218D, HIS205A, HIS205D, ILE160A, ILE160D, ILE206A, ILE206D, LEU146A, LEU146D, LEU153A, LEU153D, LEU171A, LEU171D, LEU179A, LEU179D, LEU203A, LEU203D, LEU209A, LEU209D, LEU212A, LEU212D, LEU215A, LEU215D, LYS143A, LYS19A, LYS19D, LYS220A, LYS220D, MET208A, MET208D, PHE137A, PHE137D, PHE155A, PHE155D, PHE167A, PHE167D, PHE178A, PHE178D, PRO139A, PRO139D, PRO161A, PRO161D, PRO202A, PRO202D, SER13A, SER13D, SER156A, SER156D, SER201A, SER201D, THR14A, THR14D, THR159A, THR159D, TRP162A, TRP162D, TRP216A, TRP216D, TYR151A, TYR151D, TYR154A, TYR154D, TYR217A, TYR217D, VAL142A, VAL142D, VAL144D, VAL145A, VAL145D, VAL214A, VAL214D
• B-C: ALA148B, ALA148C, ALA152B, ALA152C, ALA158B, ALA158C, ALA168B, ALA168C, ARG10B, ARG10C, ARG157B, ARG157C, ARG15B, ARG15C, ARG164B, ARG164C, ARG166B, ARG166C, ARG213B, ARG213C, ASN140B, ASN140C, ASN177B, ASN177C, ASP147B, ASP147C, ASP163B, ASP163C, ASP165B, ASP165C, ASP176B, ASP176C, ASP235B, ASP235C, GLU149B, GLU149C, GLU204B, GLU204C, GLU207B, GLU207C, GLU219B, GLU219C, GLY150B, GLY150C, GLY175B, GLY175C, GLY218B, GLY218C, HIS205B, HIS205C, ILE160B, ILE160C, ILE206B, ILE206C, LEU146B, LEU146C, LEU153B, LEU153C, LEU171B, LEU171C, LEU179B, LEU179C, LEU203B, LEU203C, LEU209B, LEU209C, LEU212B, LEU212C, LEU215B, LEU215C, LYS143B, LYS19B, LYS19C, LYS220B, LYS220C, MET208B, MET208C, PHE137B, PHE137C, PHE155B, PHE155C, PHE167B, PHE167C, PHE178B, PHE178C, PRO139B, PRO139C, PRO161B, PRO161C, PRO202B, PRO202C, SER13B, SER13C, SER156B, SER156C, SER201B, SER201C, THR14B, THR14C, THR159B, THR159C, TRP162B, TRP162C, TRP216B, TRP216C, TYR151B, TYR151C, TYR154B, TYR154C, TYR217B, TYR217C, VAL142B, VAL142C, VAL144C, VAL145B, VAL145C, VAL214B, VAL214C
• B-D: ALA37B, ALA42B, ALA57B, ALA60B, ALA61B, ARG193D, ARG194D, ARG213D, ARG36B, ARG38B, ARG44B, ASN197D, ASP90D, GLN199D, GLU219D, GLU35B, GLU39B, GLU43B, GLU59B, GLU64B, GLU84D, GLY218D, GLY41B, GLY62B, GLY63B, ILE45B, ILE46B, LEU34B, LYS27B, PRO200D, PRO202D, SER201D, SER40B, TRP198D, TRP216D, TYR195D, TYR217D, VAL196D, VAL31B, VAL58B, VAL65B