LigASite database of binding sites

holo-structure Help

1pfk

TRANSFERASE(PHOSPHOTRANSFERASE)

HEADER

CRYSTAL STRUCTURE OF THE COMPLEX OF PHOSPHOFRUCTOKINASE FROM ESCHERICHIA COLI WITH ITS REACTION PRODUCTS

TITLE

PHOSPHOFRUCTOKINASE

COMPND

ADP C 324
9	C	SER
10	C	GLY
11	C	GLY
41	C	TYR
71	C	ALA
72	C	ARG
73	C	PHE
74	C	PRO
76	C	PHE
77	C	ARG
82	C	ARG
102	C	GLY
103	C	ASP
104	C	GLY

ADP D 324
105	C	SER
107	C	MET
108	C	GLY
111	C	ARG
124	C	GLY
9	D	SER
10	D	GLY
11	D	GLY
41	D	TYR
71	D	ALA
72	D	ARG
73	D	PHE
74	D	PRO
76	D	PHE

ADP B 324
77	D	ARG
82	D	ARG
102	D	GLY
103	D	ASP
104	D	GLY
105	D	SER
107	D	MET
108	D	GLY
111	D	ARG
171	D	ARG
9	B	SER
10	B	GLY
11	B	GLY
41	B	TYR

71	B	ALA
72	B	ARG
73	B	PHE
74	B	PRO
76	B	PHE
77	B	ARG
82	B	ARG
102	B	GLY
103	B	ASP
104	B	GLY
105	B	SER
107	B	MET
108	B	GLY
111	B	ARG
124	B	GLY

ADP A 324
9	A	SER
10	A	GLY
11	A	GLY
41	A	TYR
71	A	ALA
72	A	ARG
73	A	PHE
74	A	PRO
76	A	PHE
77	A	ARG
82	A	ARG
102	A	GLY
103	A	ASP
104	A	GLY

FBP C 323
105	A	SER
107	A	MET
108	A	GLY
111	A	ARG
171	A	ARG
11	C	GLY
12	C	ASP
72	C	ARG
102	C	GLY
124	C	GLY
125	C	THR
126	C	ILE
127	C	ASP
129	C	ASP

FBP D 323
162	A	ARG
169	C	MET
170	C	GLY
171	C	ARG
222	C	GLU
223	C	HIS
243	A	ARG
249	C	HIS
252	C	ARG
11	D	GLY
12	D	ASP
72	D	ARG
125	D	THR
126	D	ILE

FBP B 323
127	D	ASP
162	B	ARG
169	D	MET
170	D	GLY
171	D	ARG
222	D	GLU
223	D	HIS
243	B	ARG
249	D	HIS
252	D	ARG
11	B	GLY
12	B	ASP
72	B	ARG
102	B	GLY

124	B	GLY
125	B	THR
126	B	ILE
127	B	ASP
129	B	ASP
162	D	ARG
169	B	MET
170	B	GLY
171	B	ARG
222	B	GLU
223	B	HIS
243	D	ARG
249	B	HIS
252	B	ARG

FBP A 323
11	A	GLY
12	A	ASP
72	A	ARG
125	A	THR
126	A	ILE
127	A	ASP
129	A	ASP
162	C	ARG
169	A	MET
170	A	GLY
171	A	ARG
222	A	GLU
223	A	HIS
243	C	ARG

ADP B 326
249	A	HIS
252	A	ARG
21	A	ARG
25	A	ARG
54	A	ARG
55	A	TYR
57	A	VAL
58	A	SER
59	A	ASP
60	A	MET
61	A	ILE
154	B	ARG
158	B	SER
185	B	GLY

MG B 327
187	B	GLU
211	B	LYS
212	B	GLY
213	B	LYS
214	B	LYS
215	B	HIS
319	B	TYR
21	A	ARG
154	B	ARG
185	B	GLY
187	B	GLU
319	B	TYR
ADP D 326
21	C	ARG

25	C	ARG
54	C	ARG
55	C	TYR
58	C	SER
59	C	ASP
60	C	MET
61	C	ILE
154	D	ARG
158	D	SER
185	D	GLY
187	D	GLU
211	D	LYS
212	D	GLY
213	D	LYS
214	D	LYS

MG D 327
215	D	HIS
319	D	TYR
21	C	ARG
154	D	ARG
185	D	GLY
186	D	CYS
187	D	GLU
215	D	HIS
319	D	TYR
ADP A 326
21	B	ARG
25	B	ARG
54	B	ARG
55	B	TYR

58	B	SER
59	B	ASP
60	B	MET
61	B	ILE
154	A	ARG
158	A	SER
185	A	GLY
187	A	GLU
211	A	LYS
212	A	GLY
213	A	LYS
214	A	LYS
215	A	HIS
319	A	TYR

MG A 327
21	B	ARG
154	A	ARG
185	A	GLY
186	A	CYS
187	A	GLU
215	A	HIS
319	A	TYR
ADP C 326
21	D	ARG
25	D	ARG
54	D	ARG
55	D	TYR
57	D	VAL
58	D	SER

MG C 327
59	D	ASP
60	D	MET
61	D	ILE
154	C	ARG
158	C	SER
185	C	GLY
187	C	GLU
211	C	LYS
212	C	GLY
213	C	LYS
214	C	LYS
215	C	HIS
319	C	TYR
21	D	ARG

MG D 325
154	C	ARG
185	C	GLY
187	C	GLU
215	C	HIS
319	C	TYR
102	D	GLY
103	D	ASP
127	D	ASP
129	D	ASP
171	D	ARG
MG A 325
102	A	GLY
103	A	ASP
129	A	ASP

MG C 325
171	A	ARG
103	C	ASP
104	C	GLY
171	C	ARG
MG B 325
103	B	ASP
104	B	GLY
171	B	ARG

Links to external databases:

LigPlot (hosted at the EBI):

» FBP	» Jmol
» ADP	» Jmol
» MG	» Jmol

» XML File

» XML Schema

» Coordinates (PDB)

» apo binding site (PDB)

» holo binding site (PDB)

apo-structure
pdb ID
2pfk		Details
other holo-structures
pdb ID	Ligand Unique ID
none

Ligand List Help

ADP	NAME:	ADENOSINE-5'-DIPHOSPHATE
	FORMULA:	C10 H15 N5 O10 P2
	SMILES:	Nc1ncnc2[n](cnc12)C3OC(COP(O)(=O)OP(O)(O)=O)C(O)C3O
MG	NAME:	MAGNESIUM ION
	FORMULA:	MG1
	SMILES:	[Mg++]
FBP	NAME:	FRUCTOSE-1,6-DIPHOSPHATE
	FORMULA:	C6 H14 O12 P2
	SMILES:	OC1C(O)C(O)(COP(O)(O)=O)OC1COP(O)(O)=O

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: 0.3662 seconds