1VH1

crystal structure of cmp-kdo synthetase

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 105
  • Norm. En. per Res.: -3.429
• 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	-59.8604	57.7076	-358.615	-360.7678	108	13	15	14242	0	33	33
A-C	-29.0709	1.3291	-115.171	-142.9128	55	6	0	4475	3	25	27
B-C	-26.418	23.3939	-106.595	-109.6192	47	6	0	3911	0	21	21
B-D	-25.7126	-17.0251	-97.4611	-140.1988	53	5	0	3728	2	27	25
C-D	-54.3093	52.6586	-358.395	-360.0458	105	12	17	14136	0	32	34

Interface residues

• A-B: ALA141B, ALA148A, ALA148B, ALA152A, ALA152B, ALA158A, ALA158B, ALA168A, ALA168B, ARG157A, ARG157B, ARG164A, ARG164B, ARG166A, ARG166B, ARG213A, ARG213B, ASN138B, ASN140A, ASN140B, ASN177A, ASN177B, ASP147A, ASP147B, ASP163A, ASP163B, ASP165A, ASP165B, ASP176A, ASP176B, GLN211B, GLU149A, GLU149B, GLU169A, GLU204A, GLU204B, GLU207A, GLU207B, GLU219A, GLU219B, GLY150A, GLY150B, GLY170A, GLY175A, GLY175B, GLY218A, GLY218B, HIS205A, HIS205B, ILE160A, ILE160B, ILE206A, ILE206B, ILE221B, LEU146A, LEU146B, LEU153A, LEU153B, LEU171A, LEU171B, LEU179B, LEU203A, LEU203B, LEU209A, LEU209B, LEU212A, LEU212B, LEU215A, LEU215B, LYS143B, LYS220A, LYS220B, 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, VAL145A, VAL145B, VAL214A, VAL214B
• A-C: ALA117C, ALA189A, ALA189C, ALA42C, ALA87C, ARG119A, ARG188A, ARG188C, ARG193A, ARG193C, ARG194A, ARG194C, ARG44C, ASN197A, ASN197C, ASP90A, ASP90C, ASP91A, ASP91C, CYS86C, GLN120A, GLN120C, GLN199A, GLU219A, GLU43C, GLU64C, GLU84C, GLY122A, GLY190A, GLY190C, GLY218A, ILE221A, ILE46C, ILE94C, LEU116A, LYS220A, LYS85C, PHE191A, PHE191C, PHE3C, PHE88C, SER2C, SER89A, SER89C, THR92A, THR92C, TRP198A, TYR195A, TYR217A, VAL121A, VAL4C, VAL82C, VAL83C, VAL93A, VAL93C
• B-C: ALA113B, ALA113C, ALA117B, ALA117C, ALA148B, ALA148C, ARG119B, ARG119C, ARG188B, ARG188C, ASN115B, ASN115C, ASP114B, ASP114C, ASP147B, ASP147C, ASP91B, ASP91C, GLN118B, GLN118C, GLN120B, GLN120C, GLU149B, GLU149C, GLU219B, GLU219C, GLY122B, GLY122C, GLY150B, GLY150C, GLY218B, HIS222B, HIS222C, ILE221B, ILE221C, LEU116B, LEU116C, LYS220B, LYS220C, SER2B, SER2C, TYR151B, TYR151C, VAL121B, VAL121C, VAL93B, VAL93C
• B-D: ALA117B, ALA189B, ALA189D, ALA87B, ARG119D, ARG188B, ARG188D, ARG193B, ARG193D, ARG194D, ARG44B, ASN197D, ASP90B, ASP90D, ASP91B, ASP91D, CYS86B, GLN120B, GLN120D, GLN199D, GLU219D, GLU43B, GLU64B, GLU84B, GLY122D, GLY190B, GLY190D, GLY218D, ILE221D, ILE46B, LEU116D, LYS220D, LYS85B, PHE191D, PHE3B, PHE88B, SER2B, SER89B, SER89D, THR92B, THR92D, TRP198D, TRP216D, TYR151D, TYR195D, TYR217D, VAL121D, VAL214D, VAL4B, VAL82B, VAL83B, VAL93B, VAL93D
• C-D: ALA141D, ALA148C, ALA148D, ALA152C, ALA152D, ALA158C, ALA158D, ALA168C, ALA168D, ARG157C, ARG157D, ARG164C, ARG164D, ARG166C, ARG166D, ARG213C, ARG213D, ASN138D, ASN140C, ASN140D, ASN177C, ASN177D, ASP147C, ASP147D, ASP163C, ASP163D, ASP165C, ASP165D, ASP176C, ASP176D, GLU149C, GLU149D, GLU204C, GLU204D, GLU207C, GLU207D, GLU219C, GLU219D, GLY150C, GLY150D, GLY175C, GLY175D, GLY218C, GLY218D, HIS205C, HIS205D, ILE160C, ILE160D, ILE206C, ILE206D, LEU146C, LEU146D, LEU153C, LEU153D, LEU171D, LEU179C, LEU203C, LEU203D, LEU209C, LEU209D, LEU212C, LEU212D, LEU215C, LEU215D, LYS143D, LYS220C, LYS220D, 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, VAL142C, VAL142D, VAL144C, VAL144D, VAL145C, VAL145D, VAL214C, VAL214D