2ZGI

crystal structure of putative 4-amino-4-deoxychorismate lyase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 172
  • Norm. En. per Res.: -4.5671
• Hub Node: A(3)

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	-20.2633	-20.2633	15	0	2	574	0	0	0
A-C	-24.5672	-25.45	-93.0695	-143.0866	59	2	2	3926	5	42	45
A-D	-173.505	-31.3284	-580.7	-785.5334	172	35	19	23752	8	35	46
B-C	-157.8099	-34.0914	-593.197	-785.0983	172	32	19	24278	6	35	47
B-D	0.0	-23.9104	-33.6372	-57.5476	36	0	2	1539	0	24	22
C-D	0.0	0.0	-0.1634	-0.1634	5	0	0	38	0	1	1

Interface residues

• A-B: ALA153A, ALA153B, ARG117B, ARG205A, ARG205B, ASP152A, ASP152B, GLY155A, GLY155B, HIS156A, HIS156B, PHE154A, PHE154B, PRO120A, PRO120B
• A-C: ALA123A, ALA153A, ALA153C, ALA189A, ALA43A, ALA51A, ARG117C, ARG124A, ARG169C, ARG193A, ARG198A, ARG198C, ARG201A, ARG201C, ARG205A, ARG205C, ARG210C, ARG44A, ARG46A, ARG47A, ASP121A, ASP152A, ASP152C, GLU170C, GLU177A, GLU177C, GLU181A, GLU186A, GLU190A, GLU200A, GLU200C, GLU207C, GLU40A, GLY155A, GLY155C, GLY178A, GLY179A, GLY194A, GLY202A, GLY202C, GLY208C, HIS156A, HIS156C, LEU175A, LEU175C, LEU203A, LEU203C, PHE154A, PHE154C, PHE204A, PHE204C, PRO120A, PRO206C, THR172C, TYR125A, TYR174C, VAL158A, VAL199A, VAL199C
• A-D: ALA10A, ALA10D, ALA123A, ALA123D, ALA12A, ALA12D, ALA153A, ALA153D, ALA16A, ALA16D, ALA22A, ALA22D, ALA51A, ALA51D, ALA61A, ALA61D, ALA68A, ALA68D, ALA72A, ALA72D, ALA94A, ALA94D, ARG117A, ARG117D, ARG134A, ARG134D, ARG162A, ARG162D, ARG2A, ARG2A5, ARG2D, ARG71A, ARG80A, ARG80D, ARG82A, ARG82D, ARG90A, ARG90D, ARG95A, ARG95D, ASN129A, ASN129D, ASN5A, ASN5D, ASP121A, ASP121D, ASP152A, ASP152D, ASP65A, ASP65D, CB4.00418-36.93785, CB8.524424.91661, GLU138A, GLU138D, GLU15A, GLU15D, GLU64A, GLU64D, GLU67A, GLU67D, GLU87A, GLU87D, GLU93A, GLU93D, GLY115A, GLY115D, GLY128A, GLY128D, GLY21A, GLY21D, GLY53A, GLY53D, GLY6A, GLY6D, GLY86A, GLY86D, GLY88A, GLY88D, HIS119A, HIS119D, HIS20A, HIS20D, HIS48A, LEU11A, LEU11D, LEU122A, LEU122D, LEU131A, LEU131D, LEU135A, LEU135D, LEU137A, LEU137D, LEU13A, LEU13D, LEU150A, LEU150D, LEU151A, LEU151D, LEU18A, LEU18D, LEU3A, LEU3D, LEU4A, LEU4D, LEU52A, LEU52D, LEU54A, LEU54D, LEU66A, LEU66D, LEU69A, LEU69D, LEU70A, LEU70D, LEU91A, LEU91D, LEU9A, LEU9D, LYS126D, PHE154A, PHE154D, PHE17A, PHE17D, PHE25A, PHE25D, PHE62A, PHE62D, PHE73A, PHE73D, PHE83A, PHE83D, PRO120A, PRO120D, PRO132A, PRO132D, PRO14A, PRO14D, PRO57A, PRO57D, PRO8A, PRO8D, SER23A, SER23D, SER92A, SER92D, THR114A, THR127A, THR127D, THR27A, THR27D, THR7A, THR7D, THR84A, THR84D, TYR116A, TYR116D, TYR125A, TYR125D, TYR130A, TYR130D, TYR133A, TYR133D, TYR19A, TYR19D, VAL118A, VAL118D, VAL24A, VAL24D, VAL85A, VAL89A, VAL89D
• B-C: ALA10B, ALA123B, ALA123C, ALA12B, ALA12C, ALA136C, ALA153B, ALA153C, ALA16B, ALA16C, ALA22B, ALA22C, ALA49B, ALA51B, ALA51C, ALA61B, ALA61C, ALA68B, ALA68C, ALA72B, ALA72C, ALA94B, ALA94C, ARG117B, ARG117C, ARG134B, ARG134C, ARG162B, ARG162C, ARG2B, ARG2C, ARG71B, ARG71C, ARG80B, ARG80C, ARG82B, ARG82C, ARG90B, ARG90C, ARG95B, ARG95C, ASN129B, ASN129C, ASN5B, ASN5C, ASP121B, ASP121C, ASP152B, ASP152C, ASP65B, ASP65C, GLU138B, GLU138C, GLU15B, GLU15C, GLU64B, GLU64C, GLU67B, GLU67C, GLU87B, GLU87C, GLU93B, GLU93C, GLY115B, GLY115C, GLY128B, GLY128C, GLY21B, GLY21C, GLY53B, GLY53C, GLY6B, GLY6C, GLY86B, GLY86C, GLY88B, GLY88C, HIS119B, HIS119C, HIS20B, HIS20C, HIS48B, LEU11B, LEU11C, LEU122B, LEU122C, LEU131B, LEU131C, LEU135B, LEU135C, LEU137B, LEU137C, LEU13B, LEU13C, LEU150B, LEU150C, LEU151B, LEU151C, LEU18B, LEU18C, LEU3B, LEU3C, LEU4B, LEU4C, LEU50B, LEU52B, LEU52C, LEU54B, LEU54C, LEU66B, LEU66C, LEU69B, LEU69C, LEU70B, LEU70C, LEU91B, LEU91C, LEU9B, LEU9C, LYS142B, LYS142C, PHE154B, PHE154C, PHE17B, PHE17C, PHE25B, PHE25C, PHE62B, PHE62C, PHE73B, PHE73C, PHE83B, PHE83C, PRO120B, PRO120C, PRO132B, PRO132C, PRO14B, PRO14C, PRO57B, PRO57C, PRO8B, PRO8C, SER23B, SER23C, SER92B, SER92C, THR127B, THR127C, THR27B, THR27C, THR7B, THR7C, THR84B, THR84C, TYR116B, TYR116C, TYR125B, TYR125C, TYR130B, TYR130C, TYR133B, TYR133C, TYR19B, TYR19C, VAL118B, VAL118C, VAL24B, VAL24C, VAL85C, VAL89B, VAL89C
• B-D: ALA153B, ALA153D, ARG117D, ARG124B, ARG169D, ARG193B, ARG198B, ARG198D, ARG201B, ARG201D, ARG205B, ARG205D, ARG210D, ASP152B, ASP152D, GLU177B, GLU200B, GLU200D, GLU207D, GLY155B, GLY155D, GLY178B, GLY202B, GLY202D, GLY208D, HIS156B, HIS156D, LEU203B, LEU203D, PHE154B, PHE154D, PHE204D, PRO120B, PRO206D, TYR174D, VAL199B
• C-D: ARG117C, ARG117D, ARG205C, ARG205D, GLY155C