1PVW

3,4-dihydroxy-2-butanone 4-phosphate synthase from M. jannaschii

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0003824	molecular_function	catalytic activity
A	0005829	cellular_component	cytosol
A	0008686	molecular_function	3,4-dihydroxy-2-butanone-4-phosphate synthase activity
A	0009231	biological_process	riboflavin biosynthetic process
A	0016829	molecular_function	lyase activity
A	0030145	molecular_function	manganese ion binding
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0003824	molecular_function	catalytic activity
B	0005829	cellular_component	cytosol
B	0008686	molecular_function	3,4-dihydroxy-2-butanone-4-phosphate synthase activity
B	0009231	biological_process	riboflavin biosynthetic process
B	0016829	molecular_function	lyase activity
B	0030145	molecular_function	manganese ion binding
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0003824	molecular_function	catalytic activity
C	0005829	cellular_component	cytosol
C	0008686	molecular_function	3,4-dihydroxy-2-butanone-4-phosphate synthase activity
C	0009231	biological_process	riboflavin biosynthetic process
C	0016829	molecular_function	lyase activity
C	0030145	molecular_function	manganese ion binding
C	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	GLU26
A	HIS164
A	CA402
A	HOH403
A	HOH404
A	PO4409

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CA A 402

Chain	Residue
A	HOH405
A	HOH406
A	HOH408
A	PO4409
B	HOH407
A	GLU26
A	ZN401
A	HOH404

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 A 409

Chain	Residue
A	ARG25
A	GLU26
A	ARG161
A	GLY163
A	HIS164
A	THR165
A	ZN401
A	CA402
A	HOH404
A	HOH408

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN B 501

Chain	Residue
B	GLU128
B	GLU132
C	HIS206

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	9
Details	BINDING: BINDING => ECO:0000269|PubMed:12904291, ECO:0000269|PubMed:15213409, ECO:0007744|PDB:1PVY, ECO:0007744|PDB:1SNN

Chain	Residue	Details
A	ARG25
A	ASP30
A	ARG161
B	ARG25
B	ASP30
B	ARG161
C	ARG25
C	ASP30
C	ARG161

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000305|PubMed:12904291, ECO:0000305|PubMed:15213409, ECO:0007744|PDB:1PVY, ECO:0007744|PDB:1SNN

Chain	Residue	Details
A	GLU26
A	HIS164
B	GLU26
B	HIS164
C	GLU26
C	HIS164

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	SITE: Essential for catalytic activity

Chain	Residue	Details
A	HIS147
A	GLU185
B	HIS147
B	GLU185
C	HIS147
C	GLU185

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	6
Details	Annotated By Reference To The Literature 1snn

Chain	Residue	Details
A	GLU185
A	ASN106
A	TYR95
A	ASP30
A	HIS147
A	CYS55

---

site_id	CSA2
Number of Residues	6
Details	Annotated By Reference To The Literature 1snn

Chain	Residue	Details
B	GLU185
B	ASN106
B	TYR95
B	ASP30
B	HIS147
B	CYS55

---

site_id	CSA3
Number of Residues	6
Details	Annotated By Reference To The Literature 1snn

Chain	Residue	Details
C	GLU185
C	ASN106
C	TYR95
C	ASP30
C	HIS147
C	CYS55

---

site_id	MCSA1
Number of Residues	6
Details	M-CSA 648

Chain	Residue	Details
A	ASP30	proton shuttle (general acid/base)
A	CYS55	proton shuttle (general acid/base)
A	TYR95	electrostatic stabiliser
A	ASN106	electrostatic stabiliser
A	HIS147	electrostatic stabiliser, proton shuttle (general acid/base)
A	GLU185	proton shuttle (general acid/base)

---

site_id	MCSA2
Number of Residues	6
Details	M-CSA 648

Chain	Residue	Details
B	ASP30	proton shuttle (general acid/base)
B	CYS55	proton shuttle (general acid/base)
B	TYR95	electrostatic stabiliser
B	ASN106	electrostatic stabiliser
B	HIS147	electrostatic stabiliser, proton shuttle (general acid/base)
B	GLU185	proton shuttle (general acid/base)

---

site_id	MCSA3
Number of Residues	6
Details	M-CSA 648

Chain	Residue	Details
C	ASP30	proton shuttle (general acid/base)
C	CYS55	proton shuttle (general acid/base)
C	TYR95	electrostatic stabiliser
C	ASN106	electrostatic stabiliser
C	HIS147	electrostatic stabiliser, proton shuttle (general acid/base)
C	GLU185	proton shuttle (general acid/base)

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