4R57
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with acetyl-CoA
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 | 18 |
| Details | BINDING SITE FOR RESIDUE ACO A 201 |
| Chain | Residue |
| A | TYR30 |
| A | GLY97 |
| A | PHE98 |
| A | ALA99 |
| A | ARG100 |
| A | HIS122 |
| A | ASN127 |
| A | LYS129 |
| A | LEU133 |
| A | TYR134 |
| A | TRP31 |
| A | GLN86 |
| A | ILE87 |
| A | ILE88 |
| A | ILE89 |
| A | GLN94 |
| A | GLY95 |
| A | LYS96 |
| site_id | AC2 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ACO B 201 |
| Chain | Residue |
| B | TYR30 |
| B | PHE85 |
| B | GLN86 |
| B | ILE87 |
| B | ILE89 |
| B | GLN94 |
| B | GLY95 |
| B | LYS96 |
| B | GLY97 |
| B | PHE98 |
| B | ALA99 |
| B | ARG100 |
| B | LEU121 |
| B | HIS122 |
| B | HIS132 |
| B | LEU133 |
| B | TYR134 |
| B | GLU136 |
| B | HOH305 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PG4 B 202 |
| Chain | Residue |
| B | ILE50 |
| B | HIS51 |
| B | ASN53 |
| B | ARG56 |
| D | GLU34 |
| D | TYR36 |
| D | GLU41 |
| site_id | AC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ACO C 201 |
| Chain | Residue |
| C | TYR30 |
| C | TRP31 |
| C | PHE85 |
| C | GLN86 |
| C | ILE87 |
| C | ILE88 |
| C | ILE89 |
| C | GLN94 |
| C | GLY95 |
| C | LYS96 |
| C | GLY97 |
| C | PHE98 |
| C | ALA99 |
| C | LEU121 |
| C | HIS122 |
| C | VAL123 |
| C | LYS129 |
| C | TYR134 |
| C | GLU136 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG C 202 |
| Chain | Residue |
| C | GLU34 |
| C | TYR36 |
| C | GLU37 |
| C | GLU41 |
| C | LEU45 |
| site_id | AC6 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE ACO D 201 |
| Chain | Residue |
| D | TYR30 |
| D | TRP31 |
| D | PHE85 |
| D | GLN86 |
| D | ILE87 |
| D | ILE89 |
| D | GLN94 |
| D | GLY95 |
| D | LYS96 |
| D | GLY97 |
| D | PHE98 |
| D | ALA99 |
| D | ARG100 |
| D | HIS122 |
| D | HIS132 |
| D | TYR134 |
| D | GLU136 |
| D | HOH315 |
| site_id | AC7 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE ACO E 201 |
| Chain | Residue |
| E | HIS122 |
| E | LYS129 |
| E | LEU133 |
| E | TYR134 |
| E | GLU136 |
| E | TYR30 |
| E | TRP31 |
| E | PHE85 |
| E | GLN86 |
| E | ILE87 |
| E | ILE88 |
| E | ILE89 |
| E | GLN94 |
| E | GLY95 |
| E | GLY97 |
| E | PHE98 |
| E | ALA99 |
| E | ARG100 |
| site_id | AC8 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE ACO F 201 |
| Chain | Residue |
| F | TYR30 |
| F | TRP31 |
| F | PHE85 |
| F | GLN86 |
| F | ILE87 |
| F | ILE88 |
| F | ILE89 |
| F | GLN94 |
| F | GLY95 |
| F | LYS96 |
| F | GLY97 |
| F | PHE98 |
| F | ALA99 |
| F | ARG100 |
| F | HIS122 |
| F | LYS129 |
| F | HIS132 |
| F | LEU133 |
| F | TYR134 |
| site_id | AC9 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE ACO G 201 |
| Chain | Residue |
| G | TYR30 |
| G | TRP31 |
| G | PHE85 |
| G | GLN86 |
| G | ILE87 |
| G | ILE88 |
| G | ILE89 |
| G | GLN94 |
| G | GLY95 |
| G | LYS96 |
| G | GLY97 |
| G | PHE98 |
| G | ALA99 |
| G | ARG100 |
| G | LEU121 |
| G | HIS122 |
| G | LYS129 |
| G | HIS132 |
| G | LEU133 |
| G | TYR134 |
| G | HOH320 |
| I | ASN170 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG G 202 |
| Chain | Residue |
| E | ASN53 |
| G | GLU33 |
| G | GLU34 |
| G | TYR36 |
| G | GLU41 |
| site_id | BC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE ACO H 201 |
| Chain | Residue |
| H | TYR30 |
| H | TRP31 |
| H | PHE85 |
| H | GLN86 |
| H | ILE87 |
| H | ILE88 |
| H | ILE89 |
| H | GLN94 |
| H | GLY95 |
| H | LYS96 |
| H | GLY97 |
| H | PHE98 |
| H | ALA99 |
| H | ARG100 |
| H | LEU121 |
| H | HIS122 |
| H | VAL123 |
| H | ASN127 |
| H | PRO128 |
| H | LYS129 |
| H | HIS132 |
| H | TYR134 |
| H | GLU136 |
| H | HOH302 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG H 202 |
| Chain | Residue |
| F | ARG56 |
| H | TYR36 |
| H | GLU41 |
| site_id | BC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE ACO I 201 |
| Chain | Residue |
| I | TYR30 |
| I | TRP31 |
| I | PHE85 |
| I | GLN86 |
| I | ILE87 |
| I | ILE88 |
| I | ILE89 |
| I | GLN94 |
| I | GLY95 |
| I | LYS96 |
| I | GLY97 |
| I | PHE98 |
| I | ALA99 |
| I | ARG100 |
| I | LEU121 |
| I | HIS122 |
| I | ASN127 |
| I | LYS129 |
| I | LEU133 |
| I | TYR134 |
| I | HOH308 |
| site_id | BC5 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE ACO J 201 |
| Chain | Residue |
| J | TYR30 |
| J | TRP31 |
| J | GLN86 |
| J | ILE87 |
| J | ILE89 |
| J | GLN94 |
| J | GLY95 |
| J | LYS96 |
| J | GLY97 |
| J | PHE98 |
| J | ALA99 |
| J | ARG100 |
| J | HIS122 |
| J | VAL123 |
| J | LYS129 |
| J | HIS132 |
| J | TYR134 |
| J | GLU136 |
| J | HOH310 |
| J | HOH325 |
| site_id | BC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE ACO K 201 |
| Chain | Residue |
| K | ILE27 |
| K | TYR30 |
| K | GLN86 |
| K | ILE87 |
| K | ILE88 |
| K | ILE89 |
| K | GLN94 |
| K | GLY95 |
| K | LYS96 |
| K | GLY97 |
| K | PHE98 |
| K | ALA99 |
| K | ARG100 |
| K | HIS122 |
| K | ASN127 |
| K | LYS129 |
| K | HIS132 |
| K | LEU133 |
| K | TYR134 |
| K | GLU136 |
| site_id | BC7 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE ACO L 201 |
| Chain | Residue |
| L | TYR30 |
| L | TRP31 |
| L | PHE85 |
| L | GLN86 |
| L | ILE87 |
| L | ILE88 |
| L | ILE89 |
| L | GLN94 |
| L | GLY95 |
| L | LYS96 |
| L | GLY97 |
| L | PHE98 |
| L | ALA99 |
| L | ARG100 |
| L | LEU121 |
| L | HIS122 |
| L | ASN127 |
| L | TYR134 |
| L | GLU136 |
| L | HOH313 |
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 |
