Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4R87

Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with CoA and spermine

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004145	molecular_function	diamine N-acetyltransferase activity
A	0005737	cellular_component	cytoplasm
A	0006598	biological_process	polyamine catabolic process
A	0016746	molecular_function	acyltransferase activity
A	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
A	0046203	biological_process	spermidine catabolic process
A	0046208	biological_process	spermine catabolic process
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0004145	molecular_function	diamine N-acetyltransferase activity
B	0005737	cellular_component	cytoplasm
B	0006598	biological_process	polyamine catabolic process
B	0016746	molecular_function	acyltransferase activity
B	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
B	0046203	biological_process	spermidine catabolic process
B	0046208	biological_process	spermine catabolic process
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0004145	molecular_function	diamine N-acetyltransferase activity
C	0005737	cellular_component	cytoplasm
C	0006598	biological_process	polyamine catabolic process
C	0016746	molecular_function	acyltransferase activity
C	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
C	0046203	biological_process	spermidine catabolic process
C	0046208	biological_process	spermine catabolic process
C	0046872	molecular_function	metal ion binding
D	0000287	molecular_function	magnesium ion binding
D	0004145	molecular_function	diamine N-acetyltransferase activity
D	0005737	cellular_component	cytoplasm
D	0006598	biological_process	polyamine catabolic process
D	0016746	molecular_function	acyltransferase activity
D	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
D	0046203	biological_process	spermidine catabolic process
D	0046208	biological_process	spermine catabolic process
D	0046872	molecular_function	metal ion binding
E	0000287	molecular_function	magnesium ion binding
E	0004145	molecular_function	diamine N-acetyltransferase activity
E	0005737	cellular_component	cytoplasm
E	0006598	biological_process	polyamine catabolic process
E	0016746	molecular_function	acyltransferase activity
E	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
E	0046203	biological_process	spermidine catabolic process
E	0046208	biological_process	spermine catabolic process
E	0046872	molecular_function	metal ion binding
F	0000287	molecular_function	magnesium ion binding
F	0004145	molecular_function	diamine N-acetyltransferase activity
F	0005737	cellular_component	cytoplasm
F	0006598	biological_process	polyamine catabolic process
F	0016746	molecular_function	acyltransferase activity
F	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
F	0046203	biological_process	spermidine catabolic process
F	0046208	biological_process	spermine catabolic process
F	0046872	molecular_function	metal ion binding
G	0000287	molecular_function	magnesium ion binding
G	0004145	molecular_function	diamine N-acetyltransferase activity
G	0005737	cellular_component	cytoplasm
G	0006598	biological_process	polyamine catabolic process
G	0016746	molecular_function	acyltransferase activity
G	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
G	0046203	biological_process	spermidine catabolic process
G	0046208	biological_process	spermine catabolic process
G	0046872	molecular_function	metal ion binding
H	0000287	molecular_function	magnesium ion binding
H	0004145	molecular_function	diamine N-acetyltransferase activity
H	0005737	cellular_component	cytoplasm
H	0006598	biological_process	polyamine catabolic process
H	0016746	molecular_function	acyltransferase activity
H	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
H	0046203	biological_process	spermidine catabolic process
H	0046208	biological_process	spermine catabolic process
H	0046872	molecular_function	metal ion binding
I	0000287	molecular_function	magnesium ion binding
I	0004145	molecular_function	diamine N-acetyltransferase activity
I	0005737	cellular_component	cytoplasm
I	0006598	biological_process	polyamine catabolic process
I	0016746	molecular_function	acyltransferase activity
I	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
I	0046203	biological_process	spermidine catabolic process
I	0046208	biological_process	spermine catabolic process
I	0046872	molecular_function	metal ion binding
J	0000287	molecular_function	magnesium ion binding
J	0004145	molecular_function	diamine N-acetyltransferase activity
J	0005737	cellular_component	cytoplasm
J	0006598	biological_process	polyamine catabolic process
J	0016746	molecular_function	acyltransferase activity
J	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
J	0046203	biological_process	spermidine catabolic process
J	0046208	biological_process	spermine catabolic process
J	0046872	molecular_function	metal ion binding
K	0000287	molecular_function	magnesium ion binding
K	0004145	molecular_function	diamine N-acetyltransferase activity
K	0005737	cellular_component	cytoplasm
K	0006598	biological_process	polyamine catabolic process
K	0016746	molecular_function	acyltransferase activity
K	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
K	0046203	biological_process	spermidine catabolic process
K	0046208	biological_process	spermine catabolic process
K	0046872	molecular_function	metal ion binding
L	0000287	molecular_function	magnesium ion binding
L	0004145	molecular_function	diamine N-acetyltransferase activity
L	0005737	cellular_component	cytoplasm
L	0006598	biological_process	polyamine catabolic process
L	0016746	molecular_function	acyltransferase activity
L	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
L	0046203	biological_process	spermidine catabolic process
L	0046208	biological_process	spermine catabolic process
L	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE COA A 201

Chain	Residue
A	TYR30
A	ALA99
A	ARG100
A	HIS122
A	LYS129
A	HIS132
A	LEU133
A	TYR134
A	ILE87
A	ILE88
A	ILE89
A	GLN94
A	GLY95
A	LYS96
A	GLY97
A	PHE98

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE COA B 201

Chain	Residue
B	ILE89
B	GLN94
B	GLY95
B	LYS96
B	GLY97
B	PHE98
B	ALA99
B	ARG100
B	LYS129
B	HIS132
B	LEU133
B	GLU136
B	HOH305

site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE COA C 201

Chain	Residue
C	TYR30
C	ILE87
C	ILE89
C	GLN94
C	GLY95
C	LYS96
C	GLY97
C	PHE98
C	ALA99
C	ARG100
C	HIS122
C	VAL123
C	ASN127
C	LEU133
C	TYR134
C	GLU136

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE COA D 201

Chain	Residue
D	TYR30
D	ILE88
D	ILE89
D	GLN94
D	GLY95
D	LYS96
D	GLY97
D	PHE98
D	ALA99
D	ARG100
D	HOH309

site_id	AC5
Number of Residues	19
Details	BINDING SITE FOR RESIDUE COA E 201

Chain	Residue
E	TYR30
E	ILE87
E	ILE88
E	ILE89
E	GLN94
E	GLY95
E	LYS96
E	GLY97
E	PHE98
E	ALA99
E	ARG100
E	HIS122
E	VAL123
E	ASN127
E	LYS129
E	HIS132
E	LEU133
E	TYR134
E	HOH309

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SPM E 202

Chain	Residue
E	GLU33
E	TYR36
E	GLU37
E	GLU41
G	HIS49
G	ILE50
G	ASP52
G	GLU55
G	ARG56

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE COA F 201

Chain	Residue
F	LEU133
F	TYR134
F	HOH311
F	TYR30
F	TRP31
F	ILE87
F	ILE89
F	GLN94
F	GLY95
F	LYS96
F	GLY97
F	PHE98
F	ALA99
F	ARG100
F	HIS122
F	ASN127
F	LYS129
F	HIS132

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE COA G 201

Chain	Residue
G	ILE89
G	GLN94
G	GLY95
G	LYS96
G	GLY97
G	PHE98
G	ALA99
G	LEU133
G	HOH305

site_id	AC9
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SPM G 202

Chain	Residue
E	HIS49
E	ILE50
E	ASP52
E	ARG56
G	ASN22
G	MET28
G	GLU33
G	GLU34
G	TYR36
G	GLU37
G	GLU41

site_id	BC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE COA H 201

Chain	Residue
H	TYR30
H	ILE87
H	ILE88
H	ILE89
H	GLN94
H	GLY95
H	LYS96
H	GLY97
H	ALA99
H	ARG100
H	HIS122
H	ASN127
H	LYS129
H	HIS132
H	LEU133
H	TYR134
H	HOH307
H	HOH321

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE SPM H 202

Chain	Residue
F	HIS49
F	ILE50
F	ASP52
F	ARG56
H	ASN22
H	MET28
H	GLU33
H	GLU34
H	TYR36
H	GLU37
H	GLU41
H	HOH323

site_id	BC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEG H 203

Chain	Residue
H	HIS51

site_id	BC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE COA I 201

Chain	Residue
I	ILE87
I	ILE89
I	GLN94
I	GLY95
I	GLY97
I	PHE98
I	ALA99
I	ARG100
I	LYS129

site_id	BC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SPM I 202

Chain	Residue
I	ASN22
I	GLU33
I	TYR36
I	GLU37
I	GLU41
I	HOH303
K	HIS49
K	ILE50
K	ASP52
K	GLU55
K	ARG56

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG I 203

Chain	Residue
I	ASN23
I	ASN24
J	GLN64

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE COA J 201

Chain	Residue
J	TYR30
J	ILE87
J	ILE88
J	ILE89
J	GLN94
J	GLY95
J	LYS96
J	GLY97
J	PHE98
J	ALA99
J	ARG100
J	HIS122
J	VAL123
J	ASN127
J	LYS129
J	HIS132
J	LEU133
J	TYR134

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SPM J 202

Chain	Residue
J	TRP31
J	GLU33
J	TYR36
J	GLU37
J	GLU41
J	HOH331
L	HIS49
L	ASP52
L	GLU55

site_id	BC9
Number of Residues	17
Details	BINDING SITE FOR RESIDUE COA K 201

Chain	Residue
K	ILE27
K	TYR30
K	ILE87
K	ILE88
K	ILE89
K	GLN94
K	GLY95
K	LYS96
K	GLY97
K	PHE98
K	ALA99
K	ARG100
K	ASN127
K	LYS129
K	LEU133
K	TYR134
K	HOH316

site_id	CC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE SPM K 202

Chain	Residue
I	ILE50
I	ASP52
I	GLU55
I	ARG56
K	ASN22
K	MET28
K	TRP31
K	GLU33
K	GLU34
K	TYR36
K	GLU37
K	GLU41
K	HOH303

site_id	CC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE COA L 201

Chain	Residue
L	ILE27
L	TYR30
L	TRP31
L	ILE87
L	ILE89
L	HIS93
L	GLN94
L	GLY95
L	LYS96
L	GLY97
L	PHE98
L	ALA99
L	ARG100
L	HIS122
L	LYS129
L	HIS132
L	LEU133
L	TYR134
L	HOH310

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PEG L 202

Chain	Residue
K	GLN64
L	ASN23
L	ASN24
L	ARG25
L	ASN26

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: Proton donor => ECO:0000250\|UniProtKB:P0A951

Chain	Residue	Details
A	TYR134
J	TYR134
K	TYR134
L	TYR134
B	TYR134
C	TYR134
D	TYR134
E	TYR134
F	TYR134
G	TYR134
H	TYR134
I	TYR134

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0000269\|Ref.3, ECO:0007744\|PDB:4MJ8

Chain	Residue	Details
A	MET28
E	GLU84
F	MET28
F	GLU84
G	MET28
G	GLU84
H	MET28
H	GLU84
I	MET28
I	GLU84
J	MET28
A	GLU84
J	GLU84
K	MET28
K	GLU84
L	MET28
L	GLU84
B	MET28
B	GLU84
C	MET28
C	GLU84
D	MET28
D	GLU84
E	MET28

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0007744\|PDB:4MI4

Chain	Residue	Details
A	GLU33
J	GLU33
K	GLU33
L	GLU33
B	GLU33
C	GLU33
D	GLU33
E	GLU33
F	GLU33
G	GLU33
H	GLU33
I	GLU33

site_id	SWS_FT_FI4
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0007744\|PDB:4MI4, ECO:0007744\|PDB:4R87

Chain	Residue	Details
A	GLU41
J	GLU41
K	GLU41
L	GLU41
B	GLU41
C	GLU41
D	GLU41
E	GLU41
F	GLU41
G	GLU41
H	GLU41
I	GLU41

site_id	SWS_FT_FI5
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0007744\|PDB:4R87

Chain	Residue	Details
A	HIS49
J	HIS49
K	HIS49
L	HIS49
B	HIS49
C	HIS49
D	HIS49
E	HIS49
F	HIS49
G	HIS49
H	HIS49
I	HIS49

site_id	SWS_FT_FI6
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0000269\|PubMed:26410587, ECO:0007744\|PDB:5CNP

Chain	Residue	Details
A	GLU75
J	GLU75
K	GLU75
L	GLU75
B	GLU75
C	GLU75
D	GLU75
E	GLU75
F	GLU75
G	GLU75
H	GLU75
I	GLU75

site_id	SWS_FT_FI7
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0007744\|PDB:4R57, ECO:0007744\|PDB:4R87

Chain	Residue	Details
A	ILE87
E	GLN94
F	ILE87
F	GLN94
G	ILE87
G	GLN94
H	ILE87
H	GLN94
I	ILE87
I	GLN94
J	ILE87
A	GLN94
J	GLN94
K	ILE87
K	GLN94
L	ILE87
L	GLN94
B	ILE87
B	GLN94
C	ILE87
C	GLN94
D	ILE87
D	GLN94
E	ILE87

site_id	SWS_FT_FI8
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:25623305, ECO:0007744\|PDB:4R57

Chain	Residue	Details
A	ASN127
J	ASN127
K	ASN127
L	ASN127
B	ASN127
C	ASN127
D	ASN127
E	ASN127
F	ASN127
G	ASN127
H	ASN127
I	ASN127

site_id	SWS_FT_FI9
Number of Residues	12
Details	SITE: Could be important for selectivity toward long polyamines => ECO:0000305\|PubMed:25623305

Chain	Residue	Details
A	GLU84
J	GLU84
K	GLU84
L	GLU84
B	GLU84
C	GLU84
D	GLU84
E	GLU84
F	GLU84
G	GLU84
H	GLU84
I	GLU84

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