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 |