1IXO

Enzyme-analogue substrate complex of Pyridoxine 5'-Phosphate Synthase

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	13
Details	BINDING SITE FOR RESIDUE G3P A 1001

Chain	Residue
A	ASN9
A	HIS216
A	HOH1025
A	HOH1034
A	HOH1054
A	ARG20
A	THR43
A	GLU72
A	HIS193
A	GLY194
A	ASN213
A	ILE214
A	GLY215

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site_id	AC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE G3P B 1002

Chain	Residue
B	ASN9
B	GLU72
B	GLU153
B	HIS193
B	GLY194
B	ASN213
B	ILE214
B	GLY215
B	HIS216
B	HOH1024
B	HOH1030
B	HOH1047
B	HOH1069
B	HOH1073
C	ARG20

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE G3P C 1003

Chain	Residue
B	ARG20
C	ASN9
C	THR43
C	GLU72
C	HIS193
C	GLY194
C	ASN213
C	ILE214
C	GLY215
C	HIS216
C	G3P1005
C	HOH1016
C	HOH1036

---

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE G3P D 1004

Chain	Residue
D	ASN9
D	ARG20
D	GLU72
D	GLU153
D	HIS193
D	GLY194
D	ASN213
D	ILE214
D	GLY215
D	HIS216
D	HOH1014
D	HOH1017
D	HOH1026

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE G3P C 1005

Chain	Residue
B	ARG20
C	ASP11
C	HIS12
C	HIS45
C	ARG47
C	HIS52
C	GLU72
C	HIS193
C	G3P1003

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	LEU46
A	MET73
B	LEU46
B	MET73
C	LEU46
C	MET73
D	LEU46
D	MET73

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton donor

Chain	Residue	Details
A	GLY194
B	GLY194
C	GLY194
D	GLY194

---

site_id	SWS_FT_FI3
Number of Residues	32
Details	BINDING:

Chain	Residue	Details
B	ILE10
B	HIS12
B	GLY21
B	GLU48
B	ILE53
B	THR103
B	LEU195
B	HIS216
C	ILE10
C	HIS12
C	GLY21
C	GLU48
C	ILE53
C	THR103
C	LEU195
C	HIS216
D	ILE10
D	HIS12
D	GLY21
D	GLU48
D	ILE53
D	THR103
D	LEU195
D	HIS216
A	ILE10
A	HIS12
A	GLY21
A	GLU48
A	ILE53
A	THR103
A	LEU195
A	HIS216

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	SITE: Transition state stabilizer

Chain	Residue	Details
A	ILE154
B	ILE154
C	ILE154
D	ILE154

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	9
Details	M-CSA 243

Chain	Residue	Details
A	MET73	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	GLU104	electrostatic stabiliser, hydrogen bond acceptor
A	ILE154	electrostatic stabiliser, hydrogen bond acceptor
A	ILE10	electrostatic stabiliser, hydrogen bond donor
A	ILE13	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LEU46	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	GLU48	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
A	HIS52	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
A	GLY194	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	ILE10	electrostatic stabiliser, hydrogen bond donor
B	ILE13	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LEU46	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	GLU48	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
B	HIS52	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
B	MET73	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	GLU104	electrostatic stabiliser, hydrogen bond acceptor
B	ILE154	electrostatic stabiliser, hydrogen bond acceptor
B	GLY194	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	ILE10	electrostatic stabiliser, hydrogen bond donor
C	ILE13	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	LEU46	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	GLU48	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
C	HIS52	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
C	MET73	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	GLU104	electrostatic stabiliser, hydrogen bond acceptor
C	ILE154	electrostatic stabiliser, hydrogen bond acceptor
C	GLY194	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	ILE13	attractive charge-charge interaction, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	LEU46	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ILE10	electrostatic stabiliser, hydrogen bond donor
D	GLU48	attractive charge-charge interaction, electrostatic stabiliser, increase acidity, increase basicity
D	HIS52	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase acidity, increase basicity
D	MET73	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	GLU104	electrostatic stabiliser, hydrogen bond acceptor
D	ILE154	electrostatic stabiliser, hydrogen bond acceptor
D	GLY194	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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