1NYT
SHIKIMATE DEHYDROGENASE AroE COMPLEXED WITH NADP+
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| A | 0005515 | molecular_function | protein binding |
| 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 | 0000166 | molecular_function | nucleotide binding |
| B | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| B | 0005515 | molecular_function | protein binding |
| 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 | 0000166 | molecular_function | nucleotide binding |
| C | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| C | 0005515 | molecular_function | protein binding |
| 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 | 0000166 | molecular_function | nucleotide binding |
| D | 0004764 | molecular_function | shikimate 3-dehydrogenase (NADP+) activity |
| D | 0005515 | molecular_function | protein binding |
| 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 | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1402 |
| Chain | Residue |
| A | ARG117 |
| A | TYR209 |
| A | HOH1425 |
| A | HOH1425 |
| A | HOH1528 |
| A | HOH1565 |
| A | HOH1715 |
| A | HOH1733 |
| A | HOH1750 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1403 |
| Chain | Residue |
| A | HIS205 |
| A | PRO206 |
| A | GLY207 |
| A | HOH1437 |
| A | HOH1577 |
| A | HOH1769 |
| A | HOH1789 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1404 |
| Chain | Residue |
| A | SER14 |
| A | SER16 |
| A | THR61 |
| A | TYR215 |
| A | LEU241 |
| A | DTV1405 |
| A | HOH1681 |
| A | HOH1724 |
| A | HOH1725 |
| A | HOH1726 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1412 |
| Chain | Residue |
| B | ARG117 |
| B | TYR209 |
| B | HOH1435 |
| B | HOH1435 |
| B | HOH1580 |
| B | HOH1715 |
| B | HOH1752 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1413 |
| Chain | Residue |
| B | HIS205 |
| B | PRO206 |
| B | GLY207 |
| B | HOH1464 |
| B | HOH1487 |
| B | HOH1659 |
| B | HOH1714 |
| B | HOH1824 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1414 |
| Chain | Residue |
| B | SER14 |
| B | SER16 |
| B | THR61 |
| B | LEU241 |
| B | HOH1482 |
| B | HOH1566 |
| B | HOH1769 |
| B | HOH1770 |
| B | HOH1774 |
| B | HOH1775 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1422 |
| Chain | Residue |
| B | GLN21 |
| C | ARG117 |
| C | HOH1551 |
| C | HOH1578 |
| C | HOH1656 |
| C | HOH1675 |
| C | HOH1678 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1423 |
| Chain | Residue |
| C | THR61 |
| C | LYS65 |
| C | HOH1613 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 1424 |
| Chain | Residue |
| A | GLU111 |
| A | SER114 |
| A | HOH1547 |
| A | HOH1648 |
| A | HOH1677 |
| A | HOH1769 |
| C | GLN26 |
| site_id | BC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1425 |
| Chain | Residue |
| C | THR61 |
| C | VAL62 |
| C | PRO63 |
| C | PHE64 |
| C | LYS65 |
| C | GLU66 |
| C | HOH1542 |
| C | HOH1636 |
| C | HOH1684 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 C 1426 |
| Chain | Residue |
| C | PHE51 |
| C | ARG90 |
| C | GLY94 |
| C | HOH1526 |
| C | HOH1655 |
| D | ARG90 |
| D | GLY94 |
| D | HOH1585 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1432 |
| Chain | Residue |
| D | ARG117 |
| D | HOH1502 |
| D | HOH1677 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 D 1433 |
| Chain | Residue |
| D | THR61 |
| D | VAL62 |
| D | LYS65 |
| D | NAP1431 |
| D | HOH1581 |
| D | HOH1597 |
| D | HOH1613 |
| D | HOH1673 |
| D | HOH1678 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 1434 |
| Chain | Residue |
| B | HOH1756 |
| D | GLN26 |
| D | HOH1686 |
| B | GLU111 |
| B | HOH1605 |
| site_id | BC6 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP A 1401 |
| Chain | Residue |
| A | VAL62 |
| A | LYS65 |
| A | ASP102 |
| A | GLY126 |
| A | ALA127 |
| A | GLY128 |
| A | GLY129 |
| A | ALA130 |
| A | ASN149 |
| A | ARG150 |
| A | THR151 |
| A | ARG154 |
| A | ALA187 |
| A | THR188 |
| A | SER189 |
| A | SER190 |
| A | MET213 |
| A | GLY237 |
| A | MET240 |
| A | LEU241 |
| A | DTV1405 |
| A | HOH1432 |
| A | HOH1440 |
| A | HOH1448 |
| A | HOH1453 |
| A | HOH1474 |
| A | HOH1494 |
| A | HOH1495 |
| A | HOH1578 |
| A | HOH1599 |
| A | HOH1622 |
| A | HOH1623 |
| A | HOH1665 |
| A | HOH1722 |
| site_id | BC7 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE DTV A 1405 |
| Chain | Residue |
| A | ASN59 |
| A | VAL60 |
| A | THR61 |
| A | VAL62 |
| A | LYS65 |
| A | ASN86 |
| A | ASP102 |
| A | LEU241 |
| A | GLN244 |
| A | NAP1401 |
| A | SO41404 |
| site_id | BC8 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAP B 1411 |
| Chain | Residue |
| B | VAL62 |
| B | PRO63 |
| B | LYS65 |
| B | ASP102 |
| B | GLY126 |
| B | ALA127 |
| B | GLY128 |
| B | GLY129 |
| B | ALA130 |
| B | ASN149 |
| B | ARG150 |
| B | THR151 |
| B | ARG154 |
| B | ALA187 |
| B | THR188 |
| B | SER189 |
| B | SER190 |
| B | MET213 |
| B | GLY237 |
| B | MET240 |
| B | LEU241 |
| B | HOH1444 |
| B | HOH1465 |
| B | HOH1468 |
| B | HOH1481 |
| B | HOH1490 |
| B | HOH1500 |
| B | HOH1513 |
| B | HOH1531 |
| B | HOH1548 |
| B | HOH1603 |
| B | HOH1616 |
| B | HOH1720 |
| B | HOH1741 |
| B | HOH1773 |
| site_id | BC9 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE NAP C 1421 |
| Chain | Residue |
| C | GLY126 |
| C | ALA127 |
| C | GLY128 |
| C | GLY129 |
| C | ALA130 |
| C | ASN149 |
| C | ARG150 |
| C | THR151 |
| C | ARG154 |
| C | ALA187 |
| C | THR188 |
| C | SER189 |
| C | MET213 |
| C | GLY237 |
| C | MET240 |
| C | LEU241 |
| C | GLN244 |
| C | HOH1515 |
| C | HOH1540 |
| C | HOH1555 |
| C | HOH1602 |
| C | HOH1616 |
| C | HOH1634 |
| site_id | CC1 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAP D 1431 |
| Chain | Residue |
| D | VAL62 |
| D | ASP102 |
| D | GLY126 |
| D | ALA127 |
| D | GLY128 |
| D | GLY129 |
| D | ALA130 |
| D | ASN149 |
| D | ARG150 |
| D | THR151 |
| D | ARG154 |
| D | ALA187 |
| D | THR188 |
| D | SER189 |
| D | SER190 |
| D | MET213 |
| D | TYR215 |
| D | GLY237 |
| D | MET240 |
| D | LEU241 |
| D | SO41433 |
| D | HOH1455 |
| D | HOH1468 |
| D | HOH1503 |
| D | HOH1538 |
| D | HOH1545 |
| D | HOH1568 |
| D | HOH1581 |
| D | HOH1610 |
| D | HOH1613 |
| D | HOH1642 |
| D | HOH1646 |
| D | HOH1703 |
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 |
| Chain | Residue | Details |
| A | LYS65 | |
| B | LYS65 | |
| C | LYS65 | |
| D | LYS65 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00222 |
| Chain | Residue | Details |
| A | SER14 | |
| B | GLU77 | |
| B | ASN86 | |
| B | ASP102 | |
| B | TYR215 | |
| B | GLN244 | |
| C | SER14 | |
| C | THR61 | |
| C | GLU77 | |
| C | ASN86 | |
| C | ASP102 | |
| A | THR61 | |
| C | TYR215 | |
| C | GLN244 | |
| D | SER14 | |
| D | THR61 | |
| D | GLU77 | |
| D | ASN86 | |
| D | ASP102 | |
| D | TYR215 | |
| D | GLN244 | |
| A | GLU77 | |
| A | ASN86 | |
| A | ASP102 | |
| A | TYR215 | |
| A | GLN244 | |
| B | SER14 | |
| B | THR61 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00222, ECO:0000269|PubMed:12637497 |
| Chain | Residue | Details |
| A | GLY126 | |
| C | ASN149 | |
| C | MET213 | |
| C | GLY237 | |
| D | GLY126 | |
| D | ASN149 | |
| D | MET213 | |
| D | GLY237 | |
| A | ASN149 | |
| A | MET213 | |
| A | GLY237 | |
| B | GLY126 | |
| B | ASN149 | |
| B | MET213 | |
| B | GLY237 | |
| C | GLY126 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| A | ASP93 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| B | ASP93 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| C | ASP93 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1nvt |
| Chain | Residue | Details |
| D | ASP93 |
