3C90

the 1.25 a resolution structure of phosphoribosyl-atp pyrophosphohydrolase from mycobacterium tuberculosis, crystal form ii

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 132
  • Norm. En. per Res.: -5.2146
• Hub Node: X(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
X-A	-41.2249	-54.7545	-553.658	-649.6375	133	10	31	23377	6	55	33
X-B	0.0	-11.536	-10.6979	-22.2339	16	0	0	500	0	9	4
B-C	-47.9756	-70.2318	-570.114	-688.3214	132	14	29	23398	5	54	33

Interface residues

• X-A: ALA40A, ALA40X, ALA49A, ALA49X, ALA55A, ALA55X, ALA56A, ALA56X, ALA63A, ALA63X, ALA65A, ALA65X, ARG20A, ARG20X, ARG82A, ARG82X, ARG91A, ARG91X, ASN61A, ASN61X, ASP12A, ASP12X, ASP62A, ASP62X, ASP87A, ASP87X, ASP88A, ASP88X, GLN70A, GLN70X, GLN76A, GLN76X, GLU11A, GLU11X, GLU16A, GLU16X, GLU47A, GLU47X, GLU48A, GLU48X, GLU51A, GLU51X, GLU57A, GLU57X, GLU59A, GLU59X, GLU66A, GLU66X, GLU67A, GLU67X, GLY37A, GLY42A, GLY42X, GLY50A, GLY50X, GLY83A, GLY83X, HIS39A, HIS39X, HIS58A, HIS58X, ILE68A, ILE68X, ILE80A, ILE80X, LEU13A, LEU13X, LEU17A, LEU17X, LEU41A, LEU41X, LEU45A, LEU45X, LEU46A, LEU46X, LEU54A, LEU54X, LEU64A, LEU64X, LEU71A, LEU71X, LEU72A, LEU72X, LEU78A, LEU78X, LEU84A, LEU84X, LEU86A, LEU86X, LEU93A, LEU93X, LYS43A, LYS43X, LYS44A, LYS44X, LYS8A, LYS8X, LYS92A, LYS92X, MET79A, MET79X, PHE10A, PHE10X, PHE14A, PHE14X, SER60A, SER60X, SER69A, SER69X, SER81A, SER81X, SER85A, SER85X, THR75A, THR75X, THR9A, THR9X, TRP53A, TRP53X, TRP74A, TRP74X, TYR73A, TYR73X, TYR90A, TYR90X, VAL38A, VAL38X, VAL52A, VAL52X, VAL7A, VAL7X, VAL89A, VAL89X
• X-B: ALA32X, ALA40X, ALA63B, ARG24X, ASP35X, ASP62B, GLU57B, GLU59B, GLY36X, GLY37X, HIS39X, HIS58B, LEU34X, LEU54B, SER60B, VAL38X
• B-C: ALA40B, ALA40C, ALA49B, ALA49C, ALA55B, ALA55C, ALA56B, ALA56C, ALA63B, ALA63C, ALA65B, ALA65C, ARG20B, ARG20C, ARG82B, ARG82C, ARG91B, ARG91C, ASN61B, ASN61C, ASP12B, ASP12C, ASP62B, ASP62C, ASP87B, ASP87C, ASP88B, ASP88C, GLN70B, GLN70C, GLN76B, GLN76C, GLU11B, GLU11C, GLU16B, GLU16C, GLU47B, GLU47C, GLU48B, GLU48C, GLU51B, GLU51C, GLU57B, GLU57C, GLU59B, GLU59C, GLU66B, GLU66C, GLU67B, GLU67C, GLY42B, GLY42C, GLY50B, GLY50C, GLY83B, GLY83C, HIS39B, HIS39C, HIS58B, HIS58C, ILE68B, ILE68C, ILE80B, ILE80C, LEU13B, LEU13C, LEU17B, LEU17C, LEU41B, LEU41C, LEU45B, LEU45C, LEU46B, LEU46C, LEU54B, LEU54C, LEU64B, LEU64C, LEU71B, LEU71C, LEU72B, LEU72C, LEU78B, LEU78C, LEU84B, LEU84C, LEU86B, LEU86C, LEU93B, LEU93C, LYS43B, LYS43C, LYS44B, LYS44C, LYS8B, LYS8C, LYS92B, LYS92C, MET79B, MET79C, PHE10B, PHE10C, PHE14B, PHE14C, SER60B, SER60C, SER69B, SER69C, SER81B, SER81C, SER85B, SER85C, THR75B, THR75C, THR9B, THR9C, TRP53B, TRP53C, TRP74B, TRP74C, TYR73B, TYR73C, TYR90B, TYR90C, VAL38B, VAL38C, VAL52B, VAL52C, VAL7B, VAL7C, VAL89B, VAL89C