1HO4

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0008615	biological_process	pyridoxine biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016769	molecular_function	transferase activity, transferring nitrogenous groups
A	0033856	molecular_function	pyridoxine 5'-phosphate synthase activity
A	0042802	molecular_function	identical protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0008615	biological_process	pyridoxine biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016769	molecular_function	transferase activity, transferring nitrogenous groups
B	0033856	molecular_function	pyridoxine 5'-phosphate synthase activity
B	0042802	molecular_function	identical protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0008615	biological_process	pyridoxine biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016769	molecular_function	transferase activity, transferring nitrogenous groups
C	0033856	molecular_function	pyridoxine 5'-phosphate synthase activity
C	0042802	molecular_function	identical protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0008615	biological_process	pyridoxine biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016769	molecular_function	transferase activity, transferring nitrogenous groups
D	0033856	molecular_function	pyridoxine 5'-phosphate synthase activity
D	0042802	molecular_function	identical protein binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PO4 A 901

Chain	Residue
A	ASP11
A	HOH993
A	HOH1093
A	HIS12
A	ARG20
A	HIS45
A	ARG47
A	HIS52
A	THR102
A	PXP802
A	HOH972

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site_id	AC2
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 C 902

Chain	Residue
B	ARG20
C	ASP11
C	HIS12
C	HIS45
C	ARG47
C	HIS52
C	THR102
C	PXP803
C	HOH1075
C	HOH1084

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 B 903

Chain	Residue
B	ASP11
B	HIS12
B	HIS45
B	ARG47
B	HIS52
B	THR102
B	PXP804
B	HOH956
B	HOH1070
C	ARG20

---

site_id	AC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE PXP D 801

Chain	Residue
D	ASN9
D	ARG20
D	GLU72
D	VAL94
D	PHE133
D	GLU153
D	HIS193
D	GLY194
D	ASN213
D	ILE214
D	GLY215
D	HIS216
D	HOH816
D	HOH850
D	HOH852
D	HOH969
D	HOH970
D	HOH992

---

site_id	AC5
Number of Residues	17
Details	BINDING SITE FOR RESIDUE PXP A 802

Chain	Residue
A	ARG20
A	GLU72
A	VAL94
A	THR102
A	THR103
A	PHE133
A	GLU153
A	HIS193
A	GLY194
A	ASN213
A	ILE214
A	GLY215
A	HIS216
A	PO4901
A	HOH956
A	HOH968
A	HOH972

---

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PXP C 803

Chain	Residue
B	ARG20
C	GLU72
C	VAL94
C	THR103
C	PHE133
C	GLU153
C	HIS193
C	GLY194
C	ASN213
C	ILE214
C	GLY215
C	HIS216
C	PO4902
C	HOH908
C	HOH915
C	HOH966

---

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PXP B 804

Chain	Residue
B	GLU72
B	VAL94
B	THR103
B	GLU153
B	GLY192
B	HIS193
B	GLY194
B	ASN213
B	ILE214
B	GLY215
B	HIS216
B	PO4903
B	HOH909
B	HOH935
B	HOH956
C	ARG20

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Active site: {"description":"Proton acceptor"}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton donor"}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	32
Details	Binding site: {}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	4
Details	Site: {"description":"Transition state stabilizer"}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	9
Details	M-CSA 243

Chain	Residue	Details
A	ASN9	electrostatic stabiliser, hydrogen bond donor
A	HIS12	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	HIS45	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ARG47	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
A	ARG51	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
A	GLU72	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	THR103	electrostatic stabiliser, hydrogen bond acceptor
A	GLU153	electrostatic stabiliser, hydrogen bond acceptor
A	HIS193	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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site_id	MCSA2
Number of Residues	9
Details	M-CSA 243

Chain	Residue	Details
B	ASN9	electrostatic stabiliser, hydrogen bond donor
B	HIS12	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	HIS45	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ARG47	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
B	ARG51	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
B	GLU72	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	THR103	electrostatic stabiliser, hydrogen bond acceptor
B	GLU153	electrostatic stabiliser, hydrogen bond acceptor
B	HIS193	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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site_id	MCSA3
Number of Residues	9
Details	M-CSA 243

Chain	Residue	Details
C	ASN9	electrostatic stabiliser, hydrogen bond donor
C	HIS12	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	HIS45	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ARG47	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
C	ARG51	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
C	GLU72	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	THR103	electrostatic stabiliser, hydrogen bond acceptor
C	GLU153	electrostatic stabiliser, hydrogen bond acceptor
C	HIS193	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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site_id	MCSA4
Number of Residues	9
Details	M-CSA 243

Chain	Residue	Details
D	ASN9	electrostatic stabiliser, hydrogen bond donor
D	HIS12	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	HIS45	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ARG47	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
D	ARG51	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
D	GLU72	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	THR103	electrostatic stabiliser, hydrogen bond acceptor
D	GLU153	electrostatic stabiliser, hydrogen bond acceptor
D	HIS193	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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