LigASite database of binding sites

holo-structure Help

2auu

HYDROLASE

HEADER

INORGANIC PYROPHOSPHATASE COMPLEXED WITH MAGNESIUM PYROPHOSPHATE AND FLUORIDE

TITLE

INORGANIC PYROPHOSPHATASE

COMPND

MG K 202
20	E	GLU
29	E	LYS
31	E	GLU
55	E	TYR
57	E	TYR
67	E	ASP
68	E	PRO
70	E	ASP
MG L 202
20	F	GLU
29	F	LYS
31	F	GLU
57	F	TYR
67	F	ASP
68	F	PRO
70	F	ASP
MG I 202
20	C	GLU
29	C	LYS
31	C	GLU
57	C	TYR
67	C	ASP
68	C	PRO
70	C	ASP

MG J 202
20	D	GLU
29	D	LYS
31	D	GLU
57	D	TYR
67	D	ASP
68	D	PRO
70	D	ASP
MG H 202
20	B	GLU
29	B	LYS
31	B	GLU
55	B	TYR
57	B	TYR
67	B	ASP
68	B	PRO
70	B	ASP
MG G 202
20	A	GLU
29	A	LYS
31	A	GLU
57	A	TYR
67	A	ASP
68	A	PRO
70	A	ASP

POP K 180
29	E	LYS
31	E	GLU
43	E	ARG
51	E	TYR
55	E	TYR
65	E	ASP
67	E	ASP
70	E	ASP
97	E	ASP
98	E	GLU
99	E	ALA
102	E	ASP
104	E	LYS
141	E	TYR
142	E	LYS
148	E	LYS
POP L 180
29	F	LYS
31	F	GLU
43	F	ARG
51	F	TYR
55	F	TYR
65	F	ASP
67	F	ASP

POP I 180
70	F	ASP
97	F	ASP
98	F	GLU
99	F	ALA
102	F	ASP
104	F	LYS
141	F	TYR
142	F	LYS
148	F	LYS
29	C	LYS
31	C	GLU
43	C	ARG
51	C	TYR
55	C	TYR
65	C	ASP
67	C	ASP
70	C	ASP
97	C	ASP
98	C	GLU
99	C	ALA
102	C	ASP
104	C	LYS
141	C	TYR
142	C	LYS

POP J 180
148	C	LYS
29	D	LYS
31	D	GLU
43	D	ARG
51	D	TYR
55	D	TYR
65	D	ASP
67	D	ASP
70	D	ASP
97	D	ASP
98	D	GLU
99	D	ALA
102	D	ASP
104	D	LYS
141	D	TYR
142	D	LYS
148	D	LYS
POP H 180
29	B	LYS
31	B	GLU
43	B	ARG
51	B	TYR
55	B	TYR
65	B	ASP

POP G 180
67	B	ASP
70	B	ASP
97	B	ASP
98	B	GLU
99	B	ALA
102	B	ASP
104	B	LYS
141	B	TYR
142	B	LYS
148	B	LYS
29	A	LYS
31	A	GLU
43	A	ARG
51	A	TYR
55	A	TYR
65	A	ASP
67	A	ASP
70	A	ASP
97	A	ASP
98	A	GLU
99	A	ALA
102	A	ASP
104	A	LYS
141	A	TYR

MG K 204
142	A	LYS
148	A	LYS
31	E	GLU
42	E	ASP
43	E	ARG
67	E	ASP
98	E	GLU
148	E	LYS
MG L 204
31	F	GLU
42	F	ASP
43	F	ARG
67	F	ASP
98	F	GLU
148	F	LYS
MG I 204
31	C	GLU
42	C	ASP
43	C	ARG
67	C	ASP
98	C	GLU
148	C	LYS
MG J 204
31	D	GLU

MG H 204
42	D	ASP
43	D	ARG
67	D	ASP
98	D	GLU
148	D	LYS
31	B	GLU
42	B	ASP
43	B	ARG
67	B	ASP
98	B	GLU
148	B	LYS
MG G 204
31	A	GLU
42	A	ASP
43	A	ARG
67	A	ASP
98	A	GLU
148	A	LYS
MG I 201
63	C	SER
65	C	ASP
68	C	PRO
70	C	ASP
102	C	ASP

MG J 201
63	D	SER
65	D	ASP
68	D	PRO
70	D	ASP
102	D	ASP
F J 211
65	D	ASP
67	D	ASP
68	D	PRO
70	D	ASP
F L 211
65	F	ASP
67	F	ASP
68	F	PRO
70	F	ASP
F I 211
65	C	ASP
67	C	ASP
68	C	PRO
70	C	ASP
F K 211
65	E	ASP
67	E	ASP
68	E	PRO

F G 211
70	E	ASP
65	A	ASP
67	A	ASP
68	A	PRO
70	A	ASP
F H 211
65	B	ASP
67	B	ASP
68	B	PRO
70	B	ASP
MG K 203
65	E	ASP
97	E	ASP
99	E	ALA
102	E	ASP
104	E	LYS
141	E	TYR
MG K 201
65	E	ASP
68	E	PRO
70	E	ASP
102	E	ASP
MG L 201
65	F	ASP

MG L 203
68	F	PRO
70	F	ASP
102	F	ASP
65	F	ASP
97	F	ASP
99	F	ALA
102	F	ASP
104	F	LYS
141	F	TYR
MG I 203
65	C	ASP
97	C	ASP
99	C	ALA
102	C	ASP
104	C	LYS
141	C	TYR
MG J 203
65	D	ASP
97	D	ASP
99	D	ALA
102	D	ASP
104	D	LYS
141	D	TYR

MG H 201
65	B	ASP
68	B	PRO
70	B	ASP
102	B	ASP
MG H 203
65	B	ASP
97	B	ASP
99	B	ALA
102	B	ASP
104	B	LYS
141	B	TYR
MG G 203
65	A	ASP
97	A	ASP
99	A	ALA
102	A	ASP
104	A	LYS
141	A	TYR
MG G 201
65	A	ASP
68	A	PRO
70	A	ASP
102	A	ASP

Links to external databases:

LigPlot (hosted at the EBI):

» POP	» Jmol
» MG	» Jmol
» NA	» Jmol
» CL	» Jmol
» F	» Jmol

» XML File

» XML Schema

» Coordinates (PDB)

» apo binding site (PDB)

» holo binding site (PDB)

apo-structure
pdb ID
1igp		Details
other holo-structures
pdb ID	Ligand Unique ID
2au8	PO4J_180 _CLJ_208 _MNJ_204 _MNJ_203 _MNJ_202 _MNJ_201	Details
	PO4I_180 _MNI_201 _MNI_204 _MNI_203 _MNI_202 _CLI_208
2au6	POPJ_182 _MNJ_204 __FJ_211 _MNJ_203 _MNJ_202 _MNJ_201	Details
	POPL_182 _MNL_201 _MNL_202 _MNL_204 _MNL_203 __FL_211
	POPI_182 _MNI_201 _MNI_204 _MNI_203 _MNI_202 __FI_211
	POPK_182 _MNK_201 _MNK_204 _MNK_202 _MNK_203 __FK_211
	POPG_182 _MNG_202 _MNG_203 _MNG_201 _MNG_204 __FG_211
	POPH_182 _MNH_203 __FH_211 _MNH_204 _MNH_202 _MNH_201
2au9	POPH_180 _MNH_203 __FH_211 _CLH_208 _MNH_204 _MNH_202 _MNH_201	Details
	POPL_180 _MNL_201 _MNL_202 _MNL_204 _CLL_208 _MNL_203 __FL_211
	POPK_180 _MNK_201 _MNK_204 _MNK_202 _MNK_203 _CLK_208 __FK_211
	POPJ_180 _CLJ_208 _MNJ_204 __FJ_211 _MNJ_203 _MNJ_202 _MNJ_201
	POPG_180 _MNG_202 _CLG_208 _MNG_203 _MNG_201 _MNG_204 __FG_211
	POPI_180 _MNI_201 _MNI_204 _MNI_203 _MNI_202 _CLI_208 __FI_211

Ligand List Help

POP	NAME:	PYROPHOSPHATE 2-
	FORMULA:	H2 O7 P2
	SMILES:	OP([O-])(=O)OP(O)([O-])=O
MG	NAME:	MAGNESIUM ION
	FORMULA:	MG1
	SMILES:	[Mg++]
F	NAME:	FLUORIDE ION
	FORMULA:	F1
	SMILES:	[F-]

v6.0
October 2008 Interdisciplinary Research Institute, Computational Biology, Villeneuve d'Ascq, France
University College London, Biomolecular Structure and Modelling Unit, London, UK
Hospital for Sick Children and University of Toronto, Structural Biology and Biochemistry Program, Toronto, Canada

Script execution time: 0.946 seconds