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TRANSCRIPTION, TRANSFERASE

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PYRR, THE REGULATOR OF THE PYRIMIDINE BIOSYNTHETIC OPERON IN BACILLUS CALDOLYTICUS, NUCLEOTIDE-BOUND FORM

TITLE

PYRR BIFUNCTIONAL PROTEIN

COMPND

MG M 100
38	A	ILE
39	A	LYS
42	A	GLY
104	A	ASP
105	A	ASP
106	A	VAL
MG Q 101
38	J	ILE
39	J	LYS
42	J	GLY
104	J	ASP
105	J	ASP
MG N 100
38	C	ILE

MG P 101
39	C	LYS
42	C	GLY
104	C	ASP
105	C	ASP
106	C	VAL
38	G	ILE
39	G	LYS
41	G	ARG
42	G	GLY
104	G	ASP
105	G	ASP
MG O 101
38	E	ILE
39	E	LYS

MG P 100
42	E	GLY
104	E	ASP
105	E	ASP
38	H	ILE
39	H	LYS
42	H	GLY
104	H	ASP
105	H	ASP
106	H	VAL
MG R 100
38	K	ILE
39	K	LYS
42	K	GLY
104	K	ASP

MG M 101
105	K	ASP
106	K	VAL
38	B	ILE
39	B	LYS
41	B	ARG
42	B	GLY
104	B	ASP
105	B	ASP
MG O 100
38	F	ILE
39	F	LYS
41	F	ARG
42	F	GLY
104	F	ASP

MG Q 100
105	F	ASP
106	F	VAL
38	I	ILE
39	I	LYS
41	I	ARG
42	I	GLY
104	I	ASP
105	I	ASP
106	I	VAL
MG N 101
38	D	ILE
39	D	LYS
41	D	ARG
42	D	GLY

MG R 101
104	D	ASP
105	D	ASP
38	L	ILE
39	L	LYS
41	L	ARG
42	L	GLY
104	L	ASP
105	L	ASP
3GP M 300
39	A	LYS
40	A	THR
41	A	ARG
92	D	PRO
93	D	PHE

5GP M 200
94	D	PRO
95	D	VAL
96	D	THR
105	A	ASP
123	D	LEU
124	D	GLY
160	A	LEU
161	A	ILE
162	A	VAL
163	A	VAL
39	A	LYS
71	A	TYR
96	D	THR
104	A	ASP

105	A	ASP
106	A	VAL
107	A	LEU
108	A	PHE
109	A	THR
110	A	GLY
111	A	ARG
112	A	THR
113	A	VAL
122	D	ASP
123	D	LEU
124	D	GLY
125	D	ARG
137	A	ARG
160	A	LEU

U5P Q 400
161	A	ILE
163	A	VAL
39	J	LYS
72	D	ARG
104	J	ASP
105	J	ASP
106	J	VAL
107	J	LEU
108	J	PHE
109	J	THR
110	J	GLY
111	J	ARG
112	J	THR
113	J	VAL

3GP N 300
137	J	ARG
160	J	LEU
161	J	ILE
39	C	LYS
40	C	THR
41	C	ARG
92	B	PRO
93	B	PHE
94	B	PRO
95	B	VAL
96	B	THR
105	C	ASP
123	B	LEU
124	B	GLY

5GP N 200
160	C	LEU
161	C	ILE
162	C	VAL
163	C	VAL
39	C	LYS
71	C	TYR
96	B	THR
104	C	ASP
105	C	ASP
106	C	VAL
107	C	LEU
108	C	PHE
109	C	THR
110	C	GLY

U5P P 400
111	C	ARG
112	C	THR
113	C	VAL
122	B	ASP
123	B	LEU
124	B	GLY
125	B	ARG
137	C	ARG
160	C	LEU
161	C	ILE
163	C	VAL
39	G	LYS
72	L	ARG
104	G	ASP

U5P O 400
105	G	ASP
106	G	VAL
107	G	LEU
108	G	PHE
109	G	THR
110	G	GLY
111	G	ARG
112	G	THR
113	G	VAL
137	G	ARG
160	G	LEU
161	G	ILE
39	E	LYS
72	B	ARG

3GP P 300
104	E	ASP
105	E	ASP
106	E	VAL
107	E	LEU
108	E	PHE
109	E	THR
110	E	GLY
111	E	ARG
112	E	THR
113	E	VAL
137	E	ARG
160	E	LEU
161	E	ILE
39	H	LYS

40	H	THR
41	H	ARG
92	E	PRO
93	E	PHE
94	E	PRO
95	E	VAL
96	E	THR
98	E	ARG
105	H	ASP
123	E	LEU
124	E	GLY
160	H	LEU
161	H	ILE
162	H	VAL

5GP P 200
39	H	LYS
71	H	TYR
96	E	THR
104	H	ASP
105	H	ASP
106	H	VAL
107	H	LEU
108	H	PHE
109	H	THR
110	H	GLY
111	H	ARG
112	H	THR
113	H	VAL
122	E	ASP

3GP R 300
123	E	LEU
124	E	GLY
125	E	ARG
137	H	ARG
160	H	LEU
161	H	ILE
163	H	VAL
39	K	LYS
40	K	THR
41	K	ARG
92	J	PRO
93	J	PHE
94	J	PRO
95	J	VAL

5GP R 200
96	J	THR
98	J	ARG
105	K	ASP
123	J	LEU
124	J	GLY
160	K	LEU
161	K	ILE
162	K	VAL
39	K	LYS
71	K	TYR
96	J	THR
104	K	ASP
105	K	ASP
106	K	VAL

107	K	LEU
108	K	PHE
109	K	THR
110	K	GLY
111	K	ARG
112	K	THR
113	K	VAL
122	J	ASP
123	J	LEU
124	J	GLY
125	J	ARG
137	K	ARG
160	K	LEU
161	K	ILE
163	K	VAL

U5P M 400
39	B	LYS
72	E	ARG
104	B	ASP
105	B	ASP
106	B	VAL
107	B	LEU
108	B	PHE
109	B	THR
110	B	GLY
111	B	ARG
112	B	THR
113	B	VAL
137	B	ARG
160	B	LEU

3GP O 300
161	B	ILE
39	F	LYS
40	F	THR
41	F	ARG
92	G	PRO
93	G	PHE
94	G	PRO
95	G	VAL
96	G	THR
98	G	ARG
105	F	ASP
122	G	ASP
123	G	LEU
124	G	GLY

5GP O 200
160	F	LEU
161	F	ILE
162	F	VAL
163	F	VAL
39	F	LYS
71	F	TYR
96	G	THR
104	F	ASP
105	F	ASP
106	F	VAL
107	F	LEU
108	F	PHE
109	F	THR
110	F	GLY

3GP Q 300
111	F	ARG
112	F	THR
113	F	VAL
122	G	ASP
123	G	LEU
124	G	GLY
125	G	ARG
137	F	ARG
160	F	LEU
161	F	ILE
163	F	VAL
39	I	LYS
40	I	THR
41	I	ARG

92	L	PRO
93	L	PHE
94	L	PRO
95	L	VAL
96	L	THR
98	L	ARG
105	I	ASP
122	L	ASP
123	L	LEU
124	L	GLY
160	I	LEU
161	I	ILE
162	I	VAL
163	I	VAL

5GP Q 200
39	I	LYS
71	I	TYR
96	L	THR
104	I	ASP
105	I	ASP
106	I	VAL
107	I	LEU
108	I	PHE
109	I	THR
110	I	GLY
111	I	ARG
112	I	THR
113	I	VAL
122	L	ASP

U5P N 400
123	L	LEU
124	L	GLY
125	L	ARG
137	I	ARG
160	I	LEU
161	I	ILE
163	I	VAL
39	D	LYS
72	J	ARG
104	D	ASP
105	D	ASP
106	D	VAL
107	D	LEU
108	D	PHE

U5P R 400
109	D	THR
110	D	GLY
111	D	ARG
112	D	THR
113	D	VAL
137	D	ARG
160	D	LEU
161	D	ILE
39	L	LYS
72	G	ARG
104	L	ASP
105	L	ASP
106	L	VAL
107	L	LEU

108	L	PHE
109	L	THR
110	L	GLY
111	L	ARG
112	L	THR
113	L	VAL
137	L	ARG
160	L	LEU
161	L	ILE

Links to external databases:

LigPlot (hosted at the EBI):

» 5GP	» Jmol
» 3GP	» Jmol
» U5P	» Jmol
» MG	» Jmol

» XML File

» XML Schema

» Coordinates (PDB)

» apo binding site (PDB)

» holo binding site (PDB)

apo-structure
pdb ID
1non		Details
other holo-structures
pdb ID	Ligand Unique ID
2igb	U5PC_351	Details
	U5PB_352
	U5PD_352
	U5PA_351

Ligand List Help

3GP	NAME:	GUANOSINE-3'-MONOPHOSPHATE
	FORMULA:	C10 H14 N5 O8 P1
	SMILES:	NC1=Nc2[n](cnc2C(=O)N1)C3OC(CO)C(OP(O)(O)=O)C3O
5GP	NAME:	guanosine-5'-monophosphate
	FORMULA:	C10 H14 N5 O8 P1
	SMILES:	NC1=Nc2[n](cnc2C(=O)N1)C3OC(COP(O)(O)=O)C(O)C3O
MG	NAME:	MAGNESIUM ION
	FORMULA:	MG1
	SMILES:	[Mg++]
U5P	NAME:	URIDINE-5'-MONOPHOSPHATE
	FORMULA:	C9 H13 N2 O9 P1
	SMILES:	OC1C(O)C(OC1COP(O)(O)=O)N2C=CC(=O)NC2=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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