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1ho4

BIOSYNTHETIC PROTEIN

HEADER

CRYSTAL STRUCTURE OF PYRIDOXINE 5'-PHOSPHATE SYNTHASE IN COMPLEX WITH PYRIDOXINE 5'-PHOSPHATE AND INORGANIC PHOSPHATE

TITLE

PYRIDOXINE 5'-PHOSPHATE SYNTHASE

COMPND

PXP I 801
9	D	ASN
11	D	ASP
12	D	HIS
20	H	ARG
45	D	HIS
72	D	GLU
92	D	CYS
94	D	VAL
133	D	PHE
153	D	GLU
192	D	GLY
193	D	HIS
194	D	GLY
195	D	LEU

PO4 I 903
213	D	ASN
214	D	ILE
215	D	GLY
216	D	HIS
217	D	ALA
9	B	ASN
11	B	ASP
12	B	HIS
20	G	ARG
45	B	HIS
47	B	ARG
51	B	ARG
52	B	HIS
101	B	VAL

PXP I 804
102	B	THR
103	B	THR
9	B	ASN
12	B	HIS
20	G	ARG
24	G	TYR
45	B	HIS
72	B	GLU
92	B	CYS
94	B	VAL
103	B	THR
133	B	PHE
153	B	GLU
192	B	GLY

PXP J 801
193	B	HIS
194	B	GLY
195	B	LEU
213	B	ASN
214	B	ILE
215	B	GLY
216	B	HIS
217	B	ALA
9	H	ASN
11	H	ASP
12	H	HIS
20	D	ARG
45	H	HIS
72	H	GLU

PO4 J 901
92	H	CYS
94	H	VAL
133	H	PHE
153	H	GLU
192	H	GLY
193	H	HIS
194	H	GLY
195	H	LEU
213	H	ASN
214	H	ILE
215	H	GLY
216	H	HIS
217	H	ALA
9	E	ASN

PXP J 802
11	E	ASP
12	E	HIS
20	A	ARG
45	E	HIS
47	E	ARG
51	E	ARG
52	E	HIS
101	E	VAL
102	E	THR
103	E	THR
9	E	ASN
12	E	HIS
20	A	ARG
45	E	HIS

72	E	GLU
92	E	CYS
94	E	VAL
102	E	THR
103	E	THR
133	E	PHE
153	E	GLU
192	E	GLY
193	E	HIS
194	E	GLY
195	E	LEU
213	E	ASN
214	E	ILE
215	E	GLY
216	E	HIS

PO4 J 903
217	E	ALA
9	F	ASN
11	F	ASP
12	F	HIS
20	C	ARG
45	F	HIS
47	F	ARG
51	F	ARG
52	F	HIS
101	F	VAL
102	F	THR
103	F	THR
PXP J 804
9	F	ASN

12	F	HIS
20	C	ARG
24	C	TYR
45	F	HIS
72	F	GLU
92	F	CYS
94	F	VAL
103	F	THR
133	F	PHE
153	F	GLU
192	F	GLY
193	F	HIS
194	F	GLY
195	F	LEU
213	F	ASN

PO4 I 902
214	F	ILE
215	F	GLY
216	F	HIS
217	F	ALA
9	C	ASN
11	C	ASP
12	C	HIS
20	F	ARG
45	C	HIS
47	C	ARG
51	C	ARG
52	C	HIS
101	C	VAL
102	C	THR

PXP I 803
103	C	THR
9	C	ASN
12	C	HIS
20	F	ARG
45	C	HIS
72	C	GLU
92	C	CYS
94	C	VAL
102	C	THR
103	C	THR
133	C	PHE
153	C	GLU
193	C	HIS
194	C	GLY

PO4 J 902
195	C	LEU
213	C	ASN
214	C	ILE
215	C	GLY
216	C	HIS
217	C	ALA
9	G	ASN
11	G	ASP
12	G	HIS
20	B	ARG
45	G	HIS
47	G	ARG
51	G	ARG
52	G	HIS

PXP J 803
101	G	VAL
102	G	THR
103	G	THR
9	G	ASN
12	G	HIS
20	B	ARG
45	G	HIS
72	G	GLU
92	G	CYS
94	G	VAL
102	G	THR
103	G	THR
133	G	PHE
153	G	GLU

PO4 I 901
193	G	HIS
194	G	GLY
195	G	LEU
213	G	ASN
214	G	ILE
215	G	GLY
216	G	HIS
217	G	ALA
9	A	ASN
11	A	ASP
12	A	HIS
20	E	ARG
45	A	HIS
47	A	ARG

PXP I 802
51	A	ARG
52	A	HIS
101	A	VAL
102	A	THR
103	A	THR
9	A	ASN
12	A	HIS
20	E	ARG
45	A	HIS
72	A	GLU
92	A	CYS
94	A	VAL
102	A	THR
103	A	THR

133	A	PHE
153	A	GLU
192	A	GLY
193	A	HIS
194	A	GLY
195	A	LEU
213	A	ASN
214	A	ILE
215	A	GLY
216	A	HIS
217	A	ALA

Links to external databases:

LigPlot (hosted at the EBI):

» PO4	» Jmol
» PXP	» Jmol

» XML File

» XML Schema

» Coordinates (PDB)

» apo binding site (PDB)

» holo binding site (PDB)

apo-structure
pdb ID
1ho1		Details
other holo-structures
pdb ID	Ligand Unique ID
1ixo	G3PJ1003 G3PJ1005	Details
	G3PI1003 G3PI1005
1ixn	DXPI2001 G3PI1001	Details
	DXPJ2001 G3PJ1001
	DXPI2003 G3PI1003
	DXPI2002 G3PI1002
	DXPI2004 G3PI1004
	DXPJ2003 G3PJ1003
	DXPJ2002 G3PJ1002
	DXPJ2004 G3PJ1004

Ligand List Help

PXP	NAME:	PYRIDOXINE-5'-PHOSPHATE
	FORMULA:	C8 H12 N1 O6 P1
	SMILES:	Cc1ncc(COP(O)(O)=O)c(CO)c1O
PO4	NAME:	PHOSPHATE ION
	FORMULA:	O4 P1
	SMILES:	[O-]P([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

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