2HK9
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| A | 0009423 | biological_process | chorismate biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019632 | biological_process | shikimate metabolic process |
| A | 0050661 | molecular_function | NADP binding |
| B | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| B | 0009423 | biological_process | chorismate biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019632 | biological_process | shikimate metabolic process |
| B | 0050661 | molecular_function | NADP binding |
| C | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0008652 | biological_process | amino acid biosynthetic process |
| C | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| C | 0009423 | biological_process | chorismate biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0019632 | biological_process | shikimate metabolic process |
| C | 0050661 | molecular_function | NADP binding |
| D | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0008652 | biological_process | amino acid biosynthetic process |
| D | 0009073 | biological_process | aromatic amino acid family biosynthetic process |
| D | 0009423 | biological_process | chorismate biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0019632 | biological_process | shikimate metabolic process |
| D | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE ATR A 1101 |
| Chain | Residue |
| A | VAL67 |
| A | THR187 |
| A | THR188 |
| A | SER189 |
| A | VAL190 |
| A | HOH1123 |
| A | HOH1147 |
| A | ALA131 |
| A | GLY132 |
| A | GLY133 |
| A | ALA134 |
| A | ASN153 |
| A | ARG154 |
| A | THR155 |
| A | LYS158 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SKM A 1102 |
| Chain | Residue |
| A | SER19 |
| A | SER21 |
| A | ASN64 |
| A | THR66 |
| A | LYS70 |
| A | ASN91 |
| A | ASP106 |
| A | TYR216 |
| A | LEU239 |
| A | GLN242 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAP B 1201 |
| Chain | Residue |
| B | VAL67 |
| B | LYS70 |
| B | ASP106 |
| B | GLY130 |
| B | ALA131 |
| B | GLY132 |
| B | GLY133 |
| B | ALA134 |
| B | ASN153 |
| B | ARG154 |
| B | THR155 |
| B | LYS158 |
| B | THR187 |
| B | THR188 |
| B | SER189 |
| B | VAL190 |
| B | LEU192 |
| B | ILE214 |
| B | GLY235 |
| B | MET238 |
| B | LEU239 |
| B | GLN242 |
| B | SKM1202 |
| B | HOH1239 |
| B | HOH1245 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE SKM B 1202 |
| Chain | Residue |
| B | SER19 |
| B | SER21 |
| B | ASN64 |
| B | THR66 |
| B | LYS70 |
| B | ASN91 |
| B | ASP106 |
| B | TYR216 |
| B | LEU239 |
| B | GLN242 |
| B | NAP1201 |
| site_id | AC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAP C 1301 |
| Chain | Residue |
| C | VAL67 |
| C | LYS70 |
| C | ASP106 |
| C | GLY130 |
| C | ALA131 |
| C | GLY132 |
| C | GLY133 |
| C | ALA134 |
| C | ASN153 |
| C | ARG154 |
| C | THR155 |
| C | LYS158 |
| C | THR187 |
| C | THR188 |
| C | SER189 |
| C | VAL190 |
| C | ILE214 |
| C | GLY235 |
| C | MET238 |
| C | LEU239 |
| C | SKM1302 |
| C | HOH1341 |
| C | HOH1348 |
| C | HOH1350 |
| C | HOH1351 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SKM C 1302 |
| Chain | Residue |
| C | SER19 |
| C | SER21 |
| C | ASN64 |
| C | THR66 |
| C | LYS70 |
| C | ASN91 |
| C | ASP106 |
| C | TYR216 |
| C | LEU239 |
| C | GLN242 |
| C | NAP1301 |
| C | HOH1341 |
| site_id | AC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAP D 1401 |
| Chain | Residue |
| D | VAL67 |
| D | LYS70 |
| D | ASP106 |
| D | GLY130 |
| D | ALA131 |
| D | GLY132 |
| D | GLY133 |
| D | ALA134 |
| D | ASN153 |
| D | ARG154 |
| D | THR155 |
| D | LYS158 |
| D | THR187 |
| D | THR188 |
| D | SER189 |
| D | VAL190 |
| D | ILE214 |
| D | GLY235 |
| D | MET238 |
| D | LEU239 |
| D | SKM1402 |
| D | HOH1438 |
| D | HOH1441 |
| D | HOH1442 |
| D | HOH1443 |
| D | HOH1447 |
| A | ASP82 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SKM D 1402 |
| Chain | Residue |
| D | SER19 |
| D | SER21 |
| D | ASN64 |
| D | THR66 |
| D | LYS70 |
| D | ASN91 |
| D | ASP106 |
| D | TYR216 |
| D | LEU239 |
| D | GLN242 |
| D | NAP1401 |
| D | HOH1442 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_00222, ECO:0000305|PubMed:17649975 |
| Chain | Residue | Details |
| A | LYS70 | |
| B | LYS70 | |
| C | LYS70 | |
| D | LYS70 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 36 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00222, ECO:0000269|PubMed:17649975 |
| Chain | Residue | Details |
| A | SER19 | |
| B | SER19 | |
| B | ASP82 | |
| B | ASN91 | |
| B | ASP106 | |
| B | GLY130 | |
| B | ILE214 | |
| B | TYR216 | |
| B | GLY235 | |
| B | GLN242 | |
| C | SER19 | |
| A | ASP82 | |
| C | ASP82 | |
| C | ASN91 | |
| C | ASP106 | |
| C | GLY130 | |
| C | ILE214 | |
| C | TYR216 | |
| C | GLY235 | |
| C | GLN242 | |
| D | SER19 | |
| D | ASP82 | |
| A | ASN91 | |
| D | ASN91 | |
| D | ASP106 | |
| D | GLY130 | |
| D | ILE214 | |
| D | TYR216 | |
| D | GLY235 | |
| D | GLN242 | |
| A | ASP106 | |
| A | GLY130 | |
| A | ILE214 | |
| A | TYR216 | |
| A | GLY235 | |
| A | GLN242 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00222 |
| Chain | Residue | Details |
| A | THR66 | |
| B | THR66 | |
| C | THR66 | |
| D | THR66 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00222, ECO:0000305|PubMed:17649975 |
| Chain | Residue | Details |
| A | ASN153 | |
| B | ASN153 | |
| C | ASN153 | |
| D | ASN153 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| A | ASN97 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| B | ASN97 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| C | ASN97 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| D | ASN97 |
