3GF0

Bifunctional dCTP deaminase-dUTPase mutant enzyme variant E145Q from Methanocaldococcus jannaschii in complex with pyrophosphate and magnesium

Replaces:  2HXE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0006226	biological_process	dUMP biosynthetic process
A	0006229	biological_process	dUTP biosynthetic process
A	0006235	biological_process	dTTP biosynthetic process
A	0008829	molecular_function	dCTP deaminase activity
A	0009117	biological_process	nucleotide metabolic process
A	0015949	biological_process	nucleobase-containing small molecule interconversion
A	0016787	molecular_function	hydrolase activity
A	0033973	molecular_function	dCTP deaminase (dUMP-forming) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG A 205

Chain	Residue
A	POP277

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site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG A 206

Chain	Residue
A	GLU93
A	GLY95
A	ASP150

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A 207

Chain	Residue
A	HIS128
A	THR130

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site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 276

Chain	Residue
A	THR130
A	ALA131
A	HOH348
A	GLN115
A	GLY116
A	HIS128

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE POP A 277

Chain	Residue
A	ARG117
A	SER118
A	SER119
A	TYR177
A	SER183
A	LYS184
A	TYR185
A	MG205
A	HOH307

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"UniProtKB","id":"P28248","evidenceCode":"ECO:0000250"},{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12909016","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"AUG-2006","submissionDatabase":"PDB data bank","title":"Structural evidence for a concerted bifunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii.","authors":["Bynck J.H.","Willemoes M.","Larsen S.","Johansson E."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"AUG-2006","submissionDatabase":"PDB data bank","title":"Structural evidence for a concerted bifunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii.","authors":["Bynck J.H.","Willemoes M.","Larsen S.","Johansson E."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12909016","evidenceCode":"ECO:0000305"},{"source":"Reference","evidenceCode":"ECO:0000305","citation":{"citationType":"submission","publicationDate":"AUG-2006","submissionDatabase":"PDB data bank","title":"Structural evidence for a concerted bifunctionality in dCTP deaminase-dUTPase from Methanocaldococcus jannaschii.","authors":["Bynck J.H.","Willemoes M.","Larsen S.","Johansson E."]}}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Site: {"description":"Important for bifunctional activity","evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
A	ASP135
A	GLY137

---