1VH3

crystal structure of cmp-kdo synthetase

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 116
  • Norm. En. per Res.: -4.0308
• 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	-72.564	32.2899	-427.299	-467.5732	116	18	12	16663	2	31	35
A-C	-8.7672	6.813	-77.8302	-79.7844	49	6	0	3318	0	15	15
B-C	0.0	13.1406	-4.7766	8.364	26	0	0	655	0	16	13

Interface residues

• A-B: ALA141B, ALA181A, ALA181B, ALA203A, ARG10A, ARG157A, ARG157B, ARG15B, ARG164A, ARG164B, ARG217A, ARG217B, ARG224A, ARG224B, ASN138B, ASN140A, ASN140B, ASN169A, ASN169B, ASN209A, ASN209B, ASN221A, ASN221B, ASP147A, ASP147B, ASP149A, ASP149B, ASP163A, ASP163B, ASP165A, ASP165B, ASP180A, ASP180B, ASP239B, GLN166A, GLN166B, GLN177A, GLN206A, GLN206B, GLU208A, GLU208B, GLU211A, GLU211B, GLU223A, GLU223B, GLY150A, GLY150B, GLY222A, GLY222B, ILE160A, ILE160B, LEU136B, LEU145A, LEU145B, LEU153A, LEU153B, LEU170A, LEU178A, LEU178B, LEU207A, LEU207B, LEU210A, LEU210B, LEU213A, LEU213B, LEU216A, LEU216B, LEU219A, LEU219B, LYS143A, LYS143B, LYS148A, LYS148B, LYS212A, LYS212B, PHE137A, PHE137B, PHE155A, PHE155B, PHE167A, PHE167B, PRO139A, PRO139B, PRO161A, PRO161B, SER156A, SER156B, SER158A, SER158B, SER179A, SER179B, THR146A, THR146B, THR205A, THR205B, THR240B, TRP202A, TRP202B, TYR151A, TYR151B, TYR154A, TYR154B, TYR162A, TYR162B, TYR182A, TYR182B, TYR220A, TYR220B, VAL142A, VAL142B, VAL152A, VAL152B, VAL159A, VAL159B, VAL218A, VAL218B
• A-C: ALA117A, ALA12C, ALA22C, ALA241C, ARG15C, ARG192A, ARG224A, ARG248C, ASN120A, ASN122A, ASN221A, ASN51C, ASN53C, ASN91A, ASP149A, ASP23C, ASP50C, ASP90A, GLN198A, GLU223A, GLU242C, GLU245C, GLU52C, GLY18C, GLY222A, ILE225A, LEU116A, LEU16C, LEU219A, LEU21C, LEU244C, LYS118A, LYS148A, LYS19C, PHE119A, PHE11C, PHE195A, PRO17C, PRO20C, SER13C, SER14C, THR240C, TRP202A, TYR151A, VAL121A, VAL152A, VAL218A, VAL54C, VAL70C
• B-C: ALA117B, ALA241C, ARG15C, ARG224B, ASN120B, ASN122B, ASN138C, ASN221B, ASP132C, ASP147B, ASP239C, ASP243C, GLU134C, GLU135C, GLU223B, GLU242C, GLU245C, GLY222B, LEU153B, LYS118B, LYS148B, SER14C, THR240C, TYR151B, VAL152B, VAL236C