3BFJ
Crystal structure analysis of 1,3-propanediol oxidoreductase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| B | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| C | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| D | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| E | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| F | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| G | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0046872 | molecular_function | metal ion binding |
| G | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| H | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0046872 | molecular_function | metal ion binding |
| H | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| I | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| I | 0016491 | molecular_function | oxidoreductase activity |
| I | 0046872 | molecular_function | metal ion binding |
| I | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| J | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| J | 0016491 | molecular_function | oxidoreductase activity |
| J | 0046872 | molecular_function | metal ion binding |
| J | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| K | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| K | 0016491 | molecular_function | oxidoreductase activity |
| K | 0046872 | molecular_function | metal ion binding |
| K | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| L | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| L | 0016491 | molecular_function | oxidoreductase activity |
| L | 0046872 | molecular_function | metal ion binding |
| L | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| M | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| M | 0016491 | molecular_function | oxidoreductase activity |
| M | 0046872 | molecular_function | metal ion binding |
| M | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| N | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| N | 0016491 | molecular_function | oxidoreductase activity |
| N | 0046872 | molecular_function | metal ion binding |
| N | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| O | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| O | 0016491 | molecular_function | oxidoreductase activity |
| O | 0046872 | molecular_function | metal ion binding |
| O | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| P | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| P | 0016491 | molecular_function | oxidoreductase activity |
| P | 0046872 | molecular_function | metal ion binding |
| P | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| Q | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| Q | 0016491 | molecular_function | oxidoreductase activity |
| Q | 0046872 | molecular_function | metal ion binding |
| Q | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| R | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| R | 0016491 | molecular_function | oxidoreductase activity |
| R | 0046872 | molecular_function | metal ion binding |
| R | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| S | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| S | 0016491 | molecular_function | oxidoreductase activity |
| S | 0046872 | molecular_function | metal ion binding |
| S | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
| T | 0004022 | molecular_function | alcohol dehydrogenase (NAD+) activity |
| T | 0016491 | molecular_function | oxidoreductase activity |
| T | 0046872 | molecular_function | metal ion binding |
| T | 0047516 | molecular_function | 1,3-propanediol dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 A1388 |
| Chain | Residue |
| A | ASP198 |
| A | HIS202 |
| A | HIS267 |
| A | HIS281 |
| A | ASN285 |
| A | HOH1418 |
| A | HOH1424 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE2 B1388 |
| Chain | Residue |
| B | HIS267 |
| B | HIS281 |
| B | HOH1433 |
| B | ASP198 |
| B | HIS202 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE2 C1388 |
| Chain | Residue |
| C | ASP198 |
| C | HIS202 |
| C | HIS267 |
| C | HIS281 |
| C | HOH1415 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 D1388 |
| Chain | Residue |
| D | ASP198 |
| D | HIS202 |
| D | HIS267 |
| D | HIS281 |
| D | ASN285 |
| D | HOH1436 |
| D | HOH1437 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 E1388 |
| Chain | Residue |
| E | ASP198 |
| E | HIS202 |
| E | HIS267 |
| E | HIS281 |
| E | HOH1407 |
| E | HOH1464 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE2 F1388 |
| Chain | Residue |
| F | ASP198 |
| F | HIS202 |
| F | HIS267 |
| F | HIS281 |
| F | HOH1407 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE2 G1388 |
| Chain | Residue |
| G | ASP198 |
| G | HIS202 |
| G | HIS267 |
| G | HIS281 |
| G | HOH1429 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE2 H1388 |
| Chain | Residue |
| H | ASP198 |
| H | HIS202 |
| H | HIS267 |
| H | HIS281 |
| H | HOH1451 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 I1388 |
| Chain | Residue |
| I | ASP198 |
| I | HIS202 |
| I | HIS267 |
| I | HIS281 |
| I | HOH1394 |
| I | HOH1439 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE FE2 J1388 |
| Chain | Residue |
| J | ASP198 |
| J | HIS202 |
| J | HIS267 |
| J | HIS281 |
| J | HOH1419 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 K1388 |
| Chain | Residue |
| K | ASP198 |
| K | HIS202 |
| K | HIS267 |
| K | HIS281 |
| K | HOH1476 |
| K | HOH1480 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 L1388 |
| Chain | Residue |
| L | ASP198 |
| L | HIS202 |
| L | HIS267 |
| L | HIS281 |
| L | HOH1429 |
| L | HOH1430 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 M1388 |
| Chain | Residue |
| M | ASP198 |
| M | HIS202 |
| M | HIS267 |
| M | HIS281 |
| M | HOH1445 |
| M | HOH1446 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 N1388 |
| Chain | Residue |
| N | ASP198 |
| N | HIS202 |
| N | HIS267 |
| N | HIS281 |
| N | HOH1420 |
| N | HOH1421 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 O1388 |
| Chain | Residue |
| O | ASP198 |
| O | HIS202 |
| O | HIS267 |
| O | HIS281 |
| O | ASN285 |
| O | HOH1399 |
| O | HOH1438 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 P1388 |
| Chain | Residue |
| P | ASP198 |
| P | HIS202 |
| P | HIS267 |
| P | HIS281 |
| P | HOH1451 |
| P | HOH1452 |
| site_id | BC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE FE2 Q1388 |
| Chain | Residue |
| Q | HOH1431 |
| Q | ASP198 |
| Q | HIS202 |
| Q | HIS267 |
| Q | HIS281 |
| Q | ASN285 |
| Q | HOH1408 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE2 R1388 |
| Chain | Residue |
| R | ASP198 |
| R | HIS202 |
| R | HIS267 |
| R | HIS281 |
| R | HOH1395 |
| R | HOH1427 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE2 S1388 |
| Chain | Residue |
| S | ASP198 |
| S | HIS202 |
| S | HIS267 |
| S | HIS281 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE FE2 T1388 |
| Chain | Residue |
| T | ASP198 |
| T | HIS202 |
| T | HIS267 |
| T | HIS281 |
Functional Information from PROSITE/UniProt
| site_id | PS00060 |
| Number of Residues | 21 |
| Details | ADH_IRON_2 Iron-containing alcohol dehydrogenases signature 2. GyVHamAHqLGGlydMpHGvA |
| Chain | Residue | Details |
| A | GLY264-ALA284 |
| site_id | PS00913 |
| Number of Residues | 29 |
| Details | ADH_IRON_1 Iron-containing alcohol dehydrogenases signature 1. SInDpllmigkPaaltAaTgmDALthavE |
| Chain | Residue | Details |
| A | SER177-GLU205 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| A | HIS271 |
| site_id | CSA10 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| J | HIS271 |
| site_id | CSA11 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| K | HIS271 |
| site_id | CSA12 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| L | HIS271 |
| site_id | CSA13 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| M | HIS271 |
| site_id | CSA14 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| N | HIS271 |
| site_id | CSA15 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| O | HIS271 |
| site_id | CSA16 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| P | HIS271 |
| site_id | CSA17 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| Q | HIS271 |
| site_id | CSA18 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| R | HIS271 |
| site_id | CSA19 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| S | HIS271 |
| site_id | CSA2 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| B | HIS271 |
| site_id | CSA20 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| T | HIS271 |
| site_id | CSA3 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| C | HIS271 |
| site_id | CSA4 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| D | HIS271 |
| site_id | CSA5 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| E | HIS271 |
| site_id | CSA6 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| F | HIS271 |
| site_id | CSA7 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| G | HIS271 |
| site_id | CSA8 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| H | HIS271 |
| site_id | CSA9 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1dqs |
| Chain | Residue | Details |
| I | HIS271 |
