3ICO

crystal structure of 6-phosphogluconolactonase from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 42
  • Norm. En. per Res.: -3.1314
• 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	-6.8811	-26.6089	-74.1149	-107.6049	41	3	1	3023	2	12	10
A-C	-19.4035	-10.8856	-108.246	-138.5351	66	3	1	4435	2	21	17
A-D	-30.6364	-17.5161	-83.3672	-131.5197	42	4	0	3328	2	24	34
B-C	0.0	0.0	-0.4818	-0.4818	4	0	0	51	0	1	1
C-D	0.0	7.2348	-11.1657	-3.9308	34	0	0	807	0	30	22

Interface residues

• A-B: ALA162B, ALA217B, ALA48A, ALA55A, ALA57A, ALA90A, ARG168B, ARG51A, ARG88A, ARG89A, ASN93A, ASP12A, ASP175B, ASP218B, ASP96A, GLN56A, GLN58A, GLU165B, GLY216B, GLY44A, HIS159B, HIS94A, ILE47A, LEU164B, LEU50A, LEU53A, LEU91A, LEU92A, PRO158B, PRO161B, PRO219B, SER160B, SER166B, SER221B, SER54A, THR167B, TYR52A, VAL163B, VAL220B, VAL222B, VAL95A
• A-C: ALA207A, ALA209A, ALA211A, ALA212A, ALA241A, ALA243A, ALA25C, ALA28C, ALA29C, ALA31C, ALA32C, ALA57C, ARG21C, ARG239A, ASN45A, ASP10A, ASP208A, ASP238A, ASP240A, ASP96C, GLN56C, GLN58C, GLN59C, GLU150A, GLU61C, GLY148A, GLY151A, GLY19C, GLY203A, GLY205A, GLY24C, GLY27C, GLY43A, GLY44A, HIS152A, HIS159A, HIS94C, ILE26C, ILE60C, ILE97C, LEU22C, LYS178A, LYS206A, LYS20C, LYS244A, LYS64C, MET147A, PHE157A, PRO149A, PRO158A, PRO177A, PRO179A, PRO204A, PRO98C, PRO9A, SER11A, SER176A, SER202A, SER63C, TRP62C, TYR52C, VAL201A, VAL222A, VAL23C, VAL30C, VAL95C
• A-D: ALA118D, ALA119D, ALA120D, ALA122D, ARG182A, ARG182D, ARG183A, ARG73A, ARG82A, ASP109A, ASP109D, ASP111D, ASP115D, ASP117D, ASP174A, ASP174D, ASP175D, ASP78A, ASP79A, ASP80A, GLU81A, GLY110D, GLY113A, GLY113D, GLY114A, GLY114D, LEU116A, LEU116D, LEU121D, LYS178A, PHE112D, PRO177A, PRO179A, PRO180A, PRO181A, PRO76A, SER108A, SER108D, SER176A, TYR74A, TYR74D, VAL75A
• B-C: ARG51C, ASP12C, GLY134B, PRO133B
• C-D: ARG88C, ARG88D, ARG89C, ARG89D, ASN93C, ASN93D, ASP109C, ASP109D, ASP111C, ASP111D, ASP78C, ASP78D, ASP96C, ASP96D, GLU77C, GLU77D, GLY110C, GLY110D, GLY113C, GLY113D, HIS94C, HIS94D, ILE97C, ILE97D, LYS85C, PHE112C, PHE112D, PRO76C, PRO98C, PRO98D, SER99C, SER99D, VAL95C, VAL95D