Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2V9X

E138D variant of Escherichia coli dCTP deaminase in complex with dUTP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005829	cellular_component	cytosol
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	0009314	biological_process	response to radiation
A	0015949	biological_process	nucleobase-containing small molecule interconversion
A	0016787	molecular_function	hydrolase activity
A	0032991	cellular_component	protein-containing complex
A	0042802	molecular_function	identical protein binding
A	0070207	biological_process	protein homotrimerization
B	0000166	molecular_function	nucleotide binding
B	0005829	cellular_component	cytosol
B	0006226	biological_process	dUMP biosynthetic process
B	0006229	biological_process	dUTP biosynthetic process
B	0006235	biological_process	dTTP biosynthetic process
B	0008829	molecular_function	dCTP deaminase activity
B	0009117	biological_process	nucleotide metabolic process
B	0009314	biological_process	response to radiation
B	0015949	biological_process	nucleobase-containing small molecule interconversion
B	0016787	molecular_function	hydrolase activity
B	0032991	cellular_component	protein-containing complex
B	0042802	molecular_function	identical protein binding
B	0070207	biological_process	protein homotrimerization
C	0000166	molecular_function	nucleotide binding
C	0005829	cellular_component	cytosol
C	0006226	biological_process	dUMP biosynthetic process
C	0006229	biological_process	dUTP biosynthetic process
C	0006235	biological_process	dTTP biosynthetic process
C	0008829	molecular_function	dCTP deaminase activity
C	0009117	biological_process	nucleotide metabolic process
C	0009314	biological_process	response to radiation
C	0015949	biological_process	nucleobase-containing small molecule interconversion
C	0016787	molecular_function	hydrolase activity
C	0032991	cellular_component	protein-containing complex
C	0042802	molecular_function	identical protein binding
C	0070207	biological_process	protein homotrimerization
D	0000166	molecular_function	nucleotide binding
D	0005829	cellular_component	cytosol
D	0006226	biological_process	dUMP biosynthetic process
D	0006229	biological_process	dUTP biosynthetic process
D	0006235	biological_process	dTTP biosynthetic process
D	0008829	molecular_function	dCTP deaminase activity
D	0009117	biological_process	nucleotide metabolic process
D	0009314	biological_process	response to radiation
D	0015949	biological_process	nucleobase-containing small molecule interconversion
D	0016787	molecular_function	hydrolase activity
D	0032991	cellular_component	protein-containing complex
D	0042802	molecular_function	identical protein binding
D	0070207	biological_process	protein homotrimerization
E	0000166	molecular_function	nucleotide binding
E	0005829	cellular_component	cytosol
E	0006226	biological_process	dUMP biosynthetic process
E	0006229	biological_process	dUTP biosynthetic process
E	0006235	biological_process	dTTP biosynthetic process
E	0008829	molecular_function	dCTP deaminase activity
E	0009117	biological_process	nucleotide metabolic process
E	0009314	biological_process	response to radiation
E	0015949	biological_process	nucleobase-containing small molecule interconversion
E	0016787	molecular_function	hydrolase activity
E	0032991	cellular_component	protein-containing complex
E	0042802	molecular_function	identical protein binding
E	0070207	biological_process	protein homotrimerization
F	0000166	molecular_function	nucleotide binding
F	0005829	cellular_component	cytosol
F	0006226	biological_process	dUMP biosynthetic process
F	0006229	biological_process	dUTP biosynthetic process
F	0006235	biological_process	dTTP biosynthetic process
F	0008829	molecular_function	dCTP deaminase activity
F	0009117	biological_process	nucleotide metabolic process
F	0009314	biological_process	response to radiation
F	0015949	biological_process	nucleobase-containing small molecule interconversion
F	0016787	molecular_function	hydrolase activity
F	0032991	cellular_component	protein-containing complex
F	0042802	molecular_function	identical protein binding
F	0070207	biological_process	protein homotrimerization
G	0000166	molecular_function	nucleotide binding
G	0005829	cellular_component	cytosol
G	0006226	biological_process	dUMP biosynthetic process
G	0006229	biological_process	dUTP biosynthetic process
G	0006235	biological_process	dTTP biosynthetic process
G	0008829	molecular_function	dCTP deaminase activity
G	0009117	biological_process	nucleotide metabolic process
G	0009314	biological_process	response to radiation
G	0015949	biological_process	nucleobase-containing small molecule interconversion
G	0016787	molecular_function	hydrolase activity
G	0032991	cellular_component	protein-containing complex
G	0042802	molecular_function	identical protein binding
G	0070207	biological_process	protein homotrimerization
H	0000166	molecular_function	nucleotide binding
H	0005829	cellular_component	cytosol
H	0006226	biological_process	dUMP biosynthetic process
H	0006229	biological_process	dUTP biosynthetic process
H	0006235	biological_process	dTTP biosynthetic process
H	0008829	molecular_function	dCTP deaminase activity
H	0009117	biological_process	nucleotide metabolic process
H	0009314	biological_process	response to radiation
H	0015949	biological_process	nucleobase-containing small molecule interconversion
H	0016787	molecular_function	hydrolase activity
H	0032991	cellular_component	protein-containing complex
H	0042802	molecular_function	identical protein binding
H	0070207	biological_process	protein homotrimerization
I	0000166	molecular_function	nucleotide binding
I	0005829	cellular_component	cytosol
I	0006226	biological_process	dUMP biosynthetic process
I	0006229	biological_process	dUTP biosynthetic process
I	0006235	biological_process	dTTP biosynthetic process
I	0008829	molecular_function	dCTP deaminase activity
I	0009117	biological_process	nucleotide metabolic process
I	0009314	biological_process	response to radiation
I	0015949	biological_process	nucleobase-containing small molecule interconversion
I	0016787	molecular_function	hydrolase activity
I	0032991	cellular_component	protein-containing complex
I	0042802	molecular_function	identical protein binding
I	0070207	biological_process	protein homotrimerization
J	0000166	molecular_function	nucleotide binding
J	0005829	cellular_component	cytosol
J	0006226	biological_process	dUMP biosynthetic process
J	0006229	biological_process	dUTP biosynthetic process
J	0006235	biological_process	dTTP biosynthetic process
J	0008829	molecular_function	dCTP deaminase activity
J	0009117	biological_process	nucleotide metabolic process
J	0009314	biological_process	response to radiation
J	0015949	biological_process	nucleobase-containing small molecule interconversion
J	0016787	molecular_function	hydrolase activity
J	0032991	cellular_component	protein-containing complex
J	0042802	molecular_function	identical protein binding
J	0070207	biological_process	protein homotrimerization
K	0000166	molecular_function	nucleotide binding
K	0005829	cellular_component	cytosol
K	0006226	biological_process	dUMP biosynthetic process
K	0006229	biological_process	dUTP biosynthetic process
K	0006235	biological_process	dTTP biosynthetic process
K	0008829	molecular_function	dCTP deaminase activity
K	0009117	biological_process	nucleotide metabolic process
K	0009314	biological_process	response to radiation
K	0015949	biological_process	nucleobase-containing small molecule interconversion
K	0016787	molecular_function	hydrolase activity
K	0032991	cellular_component	protein-containing complex
K	0042802	molecular_function	identical protein binding
K	0070207	biological_process	protein homotrimerization
L	0000166	molecular_function	nucleotide binding
L	0005829	cellular_component	cytosol
L	0006226	biological_process	dUMP biosynthetic process
L	0006229	biological_process	dUTP biosynthetic process
L	0006235	biological_process	dTTP biosynthetic process
L	0008829	molecular_function	dCTP deaminase activity
L	0009117	biological_process	nucleotide metabolic process
L	0009314	biological_process	response to radiation
L	0015949	biological_process	nucleobase-containing small molecule interconversion
L	0016787	molecular_function	hydrolase activity
L	0032991	cellular_component	protein-containing complex
L	0042802	molecular_function	identical protein binding
L	0070207	biological_process	protein homotrimerization

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE DUT A1194

Chain	Residue
A	ALA124
A	LYS178
A	TYR179
A	GLN182
A	MG1195
A	HOH2039
A	HOH2044
C	ARG110
C	SER111
C	SER112
C	ARG115
A	ARG126
C	HOH2035
C	HOH2036
A	ASP128
A	TRP131
A	ILE135
A	VAL136
A	TYR171
A	ARG174
A	ALA177

site_id	AC2
Number of Residues	21
Details	BINDING SITE FOR RESIDUE DUT B1194

Chain	Residue
A	ARG110
A	SER111
A	SER112
A	ARG115
A	HOH2023
B	ALA124
B	ARG126
B	ASP128
B	TRP131
B	ILE135
B	VAL136
B	TYR171
B	ARG174
B	ALA177
B	LYS178
B	GLN182
B	MG1195
B	HOH2045
B	HOH2046
B	HOH2047
B	HOH2048

site_id	AC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DUT C1194

Chain	Residue
B	ARG110
B	SER111
B	SER112
B	ARG115
B	HOH2009
B	HOH2025
B	HOH2026
C	ALA124
C	ARG126
C	ASP128
C	TRP131
C	ILE135
C	VAL136
C	TYR171
C	ARG174
C	ALA177
C	LYS178
C	TYR179
C	GLN182
C	MG1195
C	HOH2052
C	HOH2053
C	HOH2054

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE DUT J1194

Chain	Residue
J	ALA124
J	ARG126
J	ASP128
J	TRP131
J	ILE135
J	VAL136
J	TYR171
J	MG1195
J	HOH2030
J	HOH2031
J	HOH2032
L	ARG110
L	SER111
L	SER112
L	HOH2002

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE DUT K1194

Chain	Residue
K	MG1195
K	HOH2022
K	HOH2037
J	ARG110
J	SER111
J	SER112
J	ARG115
J	HOH2010
J	HOH2011
J	HOH2021
K	ALA124
K	ARG126
K	ASP128
K	TRP131
K	ILE135
K	VAL136
K	TYR171
K	ARG174
K	ALA177
K	LYS178
K	TYR179
K	GLN182

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE DUT L1194

Chain	Residue
K	ARG110
K	SER111
K	SER112
K	ARG115
K	HOH2006
K	HOH2019
L	ALA124
L	ARG126
L	ASP128
L	TRP131
L	ILE135
L	VAL136
L	TYR171
L	MG1195
L	HOH2017
L	HOH2025

site_id	AC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DUT D1194

Chain	Residue
D	ALA124
D	ARG126
D	ASP128
D	TRP131
D	ILE135
D	VAL136
D	TYR171
D	ARG174
D	LYS178
D	TYR179
D	GLN182
D	MG1195
D	HOH2027
D	HOH2035
D	HOH2036
F	ARG110
F	SER111
F	SER112
F	ARG115
F	HOH2019

site_id	AC8
Number of Residues	21
Details	BINDING SITE FOR RESIDUE DUT E1194

Chain	Residue
D	ARG110
D	SER111
D	SER112
D	ARG115
D	HOH2007
D	HOH2021
E	ALA124
E	ARG126
E	ASP128
E	ILE135
E	VAL136
E	TYR171
E	ARG174
E	ALA177
E	LYS178
E	TYR179
E	GLN182
E	MG1195
E	HOH2038
E	HOH2039
E	HOH2040

site_id	AC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE DUT F1194

Chain	Residue
E	ARG110
E	SER111
E	SER112
E	ARG115
E	HOH2007
E	HOH2008
F	ALA124
F	ARG126
F	ASP128
F	TRP131
F	ILE135
F	VAL136
F	TYR171
F	ARG174
F	ALA177
F	LYS178
F	TYR179
F	GLN182
F	MG1195
F	HOH2032
F	HOH2033

site_id	BC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE DUT I1194

Chain	Residue
H	ARG110
H	SER111
H	SER112
H	ARG115
H	HOH2027
I	ALA124
I	ARG126
I	ASP128
I	ILE135
I	VAL136
I	TYR171
I	ARG174
I	ALA177
I	LYS178
I	TYR179
I	GLN182
I	MG1195
I	HOH2026
I	HOH2040
I	HOH2041

site_id	BC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE DUT G1194

Chain	Residue
G	ALA124
G	ARG126
G	ASP128
G	TRP131
G	ILE135
G	VAL136
G	TYR171
G	ARG174
G	LYS178
G	TYR179
G	GLN182
G	MG1195
G	HOH2025
I	ARG110
I	SER111
I	SER112
I	ARG115
I	HOH2004
I	HOH2021

site_id	BC3
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DUT H1194

Chain	Residue
G	ARG110
G	SER111
G	SER112
G	ARG115
G	HOH2002
G	HOH2012
G	HOH2013
H	ALA124
H	ARG126
H	ASP128
H	TRP131
H	ILE135
H	VAL136
H	TYR171
H	ARG174
H	ALA177
H	LYS178
H	TYR179
H	GLN182
H	MG1195
H	HOH2043
H	HOH2044
H	HOH2045

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG A1195

Chain	Residue
A	DUT1194
C	HOH2011

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B1195

Chain	Residue
A	HOH2009
B	DUT1194
B	HOH2045

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C1195

Chain	Residue
B	HOH2009
C	DUT1194
C	HOH2052

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG D1195

Chain	Residue
D	DUT1194
D	HOH2035

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG E1195

Chain	Residue
D	HOH2007
E	DUT1194
E	HOH2039

site_id	BC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG F1195

Chain	Residue
E	HOH2007
E	HOH2008
F	DUT1194
F	HOH2032

site_id	CC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG G1195

Chain	Residue
G	DUT1194
I	HOH2004

site_id	CC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG H1195

Chain	Residue
G	HOH2002
H	DUT1194
H	HOH2044

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG I1195

Chain	Residue
I	DUT1194
I	HOH2040

site_id	CC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG J1195

Chain	Residue
J	DUT1194
L	HOH2002

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG K1195

Chain	Residue
J	HOH2010
J	HOH2011
K	DUT1194
K	HOH2037

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG L1195

Chain	Residue
K	HOH2006
L	DUT1194

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C1197

Chain	Residue
A	ARG2
A	HIS125
B	ARG2
B	HIS125
C	ARG2
C	HIS125

site_id	CC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 K1197

Chain	Residue
K	LEU107
K	ASP108
K	HIS121
K	HIS125
L	THR123
L	HIS125

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 G1197

Chain	Residue
G	ARG2
G	HIS125
H	ARG2
H	HIS125
I	ARG2
I	HIS125

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D1197

Chain	Residue
D	ARG2
D	HIS125
E	ARG2
E	HIS125
F	ARG2
F	HIS125

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	84
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17651436","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	48
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17651436","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	33
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	20
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00146","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"15539408","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"17996716","evidenceCode":"ECO:0000305"}]}

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	GLY130
A	ASP128

site_id	CSA10
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
J	GLY130
J	ASP128

site_id	CSA11
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
K	GLY130
K	ASP128

site_id	CSA12
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
L	GLY130
L	ASP128

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
B	GLY130
B	ASP128

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
C	GLY130
C	ASP128

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
D	GLY130
D	ASP128

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
E	GLY130
E	ASP128

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
F	GLY130
F	ASP128

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
G	GLY130
G	ASP128

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
H	GLY130
H	ASP128

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1dup

Chain	Residue	Details
I	GLY130
I	ASP128

site_id	MCSA1
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
A	SER111	electrostatic stabiliser
A	ARG115	electrostatic stabiliser
A	ALA124	electrostatic stabiliser
A	ARG126	steric role
A	ASP138	proton acceptor, proton donor

site_id	MCSA10
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
J	SER111	electrostatic stabiliser
J	ARG115	electrostatic stabiliser
J	ALA124	electrostatic stabiliser
J	ARG126	steric role
J	ASP138	proton acceptor, proton donor

site_id	MCSA11
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
K	SER111	electrostatic stabiliser
K	ARG115	electrostatic stabiliser
K	ALA124	electrostatic stabiliser
K	ARG126	steric role
K	ASP138	proton acceptor, proton donor

site_id	MCSA12
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
L	SER111	electrostatic stabiliser
L	ARG115	electrostatic stabiliser
L	ALA124	electrostatic stabiliser
L	ARG126	steric role
L	ASP138	proton acceptor, proton donor

site_id	MCSA2
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
B	SER111	electrostatic stabiliser
B	ARG115	electrostatic stabiliser
B	ALA124	electrostatic stabiliser
B	ARG126	steric role
B	ASP138	proton acceptor, proton donor

site_id	MCSA3
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
C	SER111	electrostatic stabiliser
C	ARG115	electrostatic stabiliser
C	ALA124	electrostatic stabiliser
C	ARG126	steric role
C	ASP138	proton acceptor, proton donor

site_id	MCSA4
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
D	SER111	electrostatic stabiliser
D	ARG115	electrostatic stabiliser
D	ALA124	electrostatic stabiliser
D	ARG126	steric role
D	ASP138	proton acceptor, proton donor

site_id	MCSA5
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
E	SER111	electrostatic stabiliser
E	ARG115	electrostatic stabiliser
E	ALA124	electrostatic stabiliser
E	ARG126	steric role
E	ASP138	proton acceptor, proton donor

site_id	MCSA6
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
F	SER111	electrostatic stabiliser
F	ARG115	electrostatic stabiliser
F	ALA124	electrostatic stabiliser
F	ARG126	steric role
F	ASP138	proton acceptor, proton donor

site_id	MCSA7
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
G	SER111	electrostatic stabiliser
G	ARG115	electrostatic stabiliser
G	ALA124	electrostatic stabiliser
G	ARG126	steric role
G	ASP138	proton acceptor, proton donor

site_id	MCSA8
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
H	SER111	electrostatic stabiliser
H	ARG115	electrostatic stabiliser
H	ALA124	electrostatic stabiliser
H	ARG126	steric role
H	ASP138	proton acceptor, proton donor

site_id	MCSA9
Number of Residues	5
Details	M-CSA 732

Chain	Residue	Details
I	SER111	electrostatic stabiliser
I	ARG115	electrostatic stabiliser
I	ALA124	electrostatic stabiliser
I	ARG126	steric role
I	ASP138	proton acceptor, proton donor

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)