3K14

co-crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei with fol fragment 535, ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 114
  • Norm. En. per Res.: -4.4381
• 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	-78.3111	-58.9517	-317.201	-454.4638	116	11	9	12472	4	35	42
A-C	-87.3623	-62.951	-315.96	-466.2733	114	13	8	12355	5	32	41
B-C	-111.6323	-64.0806	-330.232	-505.9449	114	11	9	12654	6	32	38

Interface residues

• A-B: ALA102B, ALA108B, ALA133B, ALA150A, ALA150B, ALA152A, ALA152B, ALA153A, ALA153B, ALA154A, ALA154B, ALA39A, ALA45A, ALA49A, ALA49B, ALA53A, ALA53B, ALA54A, ALA55A, ALA89A, ARG115B, ARG128B, ARG144A, ARG144B, ARG158A, ARG4A, ARG4B, ARG61A, ARG94B, ASN130B, ASN136B, ASN95B, ASP10A, ASP112B, ASP127B, ASP2A, ASP48A, ASP58A, ASP65A, ASP97B, GLN103B, GLN13A, GLN151A, GLN151B, GLN7A, GLN7B, GLU137B, GLU146A, GLU149A, GLU149B, GLY140A, GLY140B, GLY143B, GLY145A, GLY147A, GLY35A, GLY52A, GLY57A, GLY60A, GLY6A, GLY6B, GLY8A, GLY8B, HIS12A, HIS36A, HIS44A, HIS62A, ILE100B, ILE101B, ILE111B, ILE148A, ILE46A, ILE59A, ILE5A, ILE5B, LEU107B, LEU124B, LEU126B, LEU139B, LEU142A, LEU142B, LEU14A, LEU155A, LEU155B, LEU33A, LEU34A, LEU50A, LEU56A, LYS132B, LYS134B, LYS138B, MET1A, MET1B, PHE3A, PHE3B, PHE51A, PHE91A, PRO125B, SER98B, THR135B, THR47A, THR99B, TYR141A, TYR141B, TYR9A, TYR9B, VAL11A, VAL129B, VAL131B, VAL156A, VAL156B, VAL157A, VAL157B, VAL15A, VAL41A, VAL96B
• A-C: ALA102A, ALA108A, ALA133A, ALA150A, ALA150C, ALA152A, ALA152C, ALA153A, ALA153C, ALA154A, ALA154C, ALA39C, ALA45C, ALA49A, ALA49C, ALA53A, ALA53C, ALA54C, ALA55C, ALA89C, ARG115A, ARG128A, ARG144A, ARG144C, ARG158C, ARG31C, ARG4A, ARG4C, ARG61C, ARG94A, ASN130A, ASN136A, ASN95A, ASP10C, ASP112A, ASP127A, ASP2C, ASP48C, ASP58C, ASP97A, GLN13C, GLN151A, GLN151C, GLN7A, GLN7C, GLU137A, GLU146C, GLU149A, GLU149C, GLY140A, GLY140C, GLY143A, GLY145C, GLY147C, GLY35C, GLY52C, GLY57C, GLY60C, GLY6A, GLY6C, GLY8A, GLY8C, HIS12C, HIS36C, HIS44C, HIS62C, ILE100A, ILE101A, ILE111A, ILE148C, ILE46C, ILE59C, ILE5A, ILE5C, LEU124A, LEU126A, LEU139A, LEU142A, LEU142C, LEU14C, LEU155A, LEU155C, LEU33C, LEU34C, LEU50C, LEU56C, LYS132A, LYS134A, LYS138A, MET1A, MET1C, PHE3A, PHE3C, PHE51C, PHE91C, PRO125A, SER98A, THR135A, THR47C, THR99A, TYR141A, TYR141C, TYR9A, TYR9C, VAL11C, VAL129A, VAL131A, VAL156A, VAL156C, VAL157A, VAL157C, VAL15C, VAL41C, VAL96A
• B-C: ALA102C, ALA108C, ALA133C, ALA150B, ALA150C, ALA152B, ALA152C, ALA153B, ALA153C, ALA154B, ALA154C, ALA39B, ALA45B, ALA49B, ALA49C, ALA53B, ALA53C, ALA54B, ALA55B, ALA89B, ARG115C, ARG128C, ARG144B, ARG144C, ARG158B, ARG4B, ARG4C, ARG61B, ARG94C, ASN130C, ASN136C, ASN95C, ASP10B, ASP112C, ASP127C, ASP2B, ASP48B, ASP58B, ASP97C, GLN103C, GLN13B, GLN151B, GLN151C, GLN7B, GLN7C, GLU137C, GLU146B, GLU149B, GLU149C, GLY140B, GLY140C, GLY143C, GLY145B, GLY147B, GLY52B, GLY57B, GLY60B, GLY6B, GLY6C, GLY8B, GLY8C, HIS12B, HIS44B, HIS62B, ILE100C, ILE101C, ILE111C, ILE148B, ILE46B, ILE59B, ILE5B, ILE5C, LEU124C, LEU126C, LEU139C, LEU142B, LEU142C, LEU14B, LEU155B, LEU155C, LEU33B, LEU34B, LEU50B, LEU50C, LEU56B, LYS132C, LYS134C, LYS138C, MET1B, MET1C, PHE3B, PHE3C, PHE51B, PHE91B, PRO109C, PRO125C, SER98C, THR135C, THR47B, THR99C, TYR141B, TYR141C, TYR9B, TYR9C, VAL11B, VAL129C, VAL131C, VAL156B, VAL156C, VAL157B, VAL157C, VAL15B, VAL41B, VAL96C