2YYH

crystal structure of nudix family protein from aquifex aeolicus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 88
  • Norm. En. per Res.: -4.5952
• 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	-43.5158	-38.7598	-343.852	-426.1276	97	16	18	14459	2	30	30
A-C	0.0	-1.2132	-21.8353	-23.0485	20	1	0	1093	0	9	2
A-D	0.0	0.0	-0.6596	-0.6596	7	0	0	97	0	2	3
B-C	-12.471	-15.7568	-19.94	-48.1678	31	5	0	1085	3	18	20
B-D	0.0	0.0	-0.0143	-0.0143	5	0	0	15	0	0	0
C-D	-30.562	-49.1416	-324.674	-404.3776	88	17	16	13919	2	29	28

Interface residues

• A-B: ALA11A, ALA11B, ALA55A, ALA55B, ALA86A, ALA86B, ARG32A, ARG32B, ARG51A, ARG51B, ARG58A, ARG82A, ARG82B, ARG85A, ARG85B, ASN4A, ASN4B, ASP79A, ASP79B, ASP83A, ASP83B, GLU47A, GLU47B, GLU50A, GLU50B, GLU53A, GLU53B, GLU54A, GLU54B, GLU81A, GLU81B, GLY2A, GLY2B, GLY44A, GLY44B, GLY49A, GLY49B, GLY75A, GLY75B, HIS87A, HIS87B, LEU10A, LEU10B, LEU73A, LEU73B, LEU9A, LEU9B, LYS129A, LYS129B, LYS6A, LYS6B, LYS72A, LYS72B, PHE3A, PHE3B, PHE45A, PHE45B, PRO35A, PRO35B, PRO36A, PRO80A, PRO80B, PRO8A, PRO8B, SER78A, SER78B, SER90A, SER90B, THR12A, THR12B, THR7A, THR7B, TRP93A, TRP93B, TYR139A, TYR139B, TYR34A, TYR77A, TYR77B, VAL46A, VAL46B, VAL48A, VAL48B, VAL52A, VAL52B, VAL5A, VAL5B, VAL76A, VAL76B, VAL88A, VAL88B, VAL89A, VAL89B, VAL91A, VAL91B, VAL92A, VAL92B
• A-C: ALA57C, ARG58C, ARG61C, ASN4A, GLU47C, GLU50C, GLU59C, GLU62C, GLU63C, GLU67C, GLY104C, GLY2A, GLY65C, LEU66C, LYS102C, LYS6A, PHE3A, SER105C, THR64C, VAL5A
• A-D: ALA86A, ARG85A, ASP83A, GLU81A, LYS6D, PRO84A, VAL5D
• B-C: ALA103C, ALA55B, ARG58B, ARG61B, ARG85B, ASN4B, ASP106C, GLU47B, GLU47C, GLU50B, GLU50C, GLU59B, GLU62B, GLU62C, GLU63B, GLY104B, GLY2B, GLY49C, LYS102C, LYS108C, LYS109C, LYS33C, PHE3B, PHE45B, PRO35B, SER105B, SER105C, TYR34B, TYR34C, VAL48B, VAL48C
• B-D: GLY2B, GLY49B, PRO80D, VAL48B, VAL5D
• C-D: ALA11C, ALA11D, ALA55C, ALA55D, ALA86C, ALA86D, ARG51C, ARG51D, ARG58C, ARG58D, ARG82C, ARG82D, ARG85C, ARG85D, ASN4C, ASP126D, ASP79C, ASP79D, ASP83D, GLU47C, GLU47D, GLU50C, GLU50D, GLU53C, GLU53D, GLU54C, GLU54D, GLU81C, GLU81D, GLY44C, GLY44D, GLY49C, GLY49D, GLY75C, GLY75D, HIS87C, HIS87D, LEU10C, LEU10D, LEU73C, LEU73D, LEU9C, LEU9D, LYS129D, LYS6C, LYS6D, LYS72C, LYS72D, PHE3C, PHE45C, PHE45D, PRO80C, PRO80D, PRO84D, PRO8C, PRO8D, SER78C, SER78D, SER90C, SER90D, THR12C, THR12D, THR7C, THR7D, TRP93C, TRP93D, TYR139C, TYR139D, TYR77C, TYR77D, VAL46C, VAL46D, VAL48C, VAL48D, VAL52C, VAL52D, VAL5C, VAL5D, VAL76C, VAL76D, VAL88C, VAL88D, VAL89C, VAL89D, VAL91C, VAL91D, VAL92C, VAL92D