1MKA
E. COLI BETA-HYDROXYDECANOYL THIOL ESTER DEHYDRASE MODIFIED BY ITS CLASSIC MECHANISM-BASED INACTIVATOR, 3-DECYNOYL-N-ACETYL CYSTEAMINE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004317 | molecular_function | (3R)-3-hydroxypalmitoyl-[acyl-carrier-protein] dehydratase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006633 | biological_process | fatty acid biosynthetic process |
| A | 0006636 | biological_process | unsaturated fatty acid biosynthetic process |
| A | 0008659 | molecular_function | (3R)-3-hydroxymyristoyl-[acyl-carrier-protein] dehydratase activity |
| A | 0008693 | molecular_function | (3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity |
| A | 0016829 | molecular_function | lyase activity |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| A | 0034017 | molecular_function | trans-2-decenoyl-acyl-carrier-protein isomerase activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0047450 | molecular_function | (3R)-3-hydroxybutanoyl-[acyl-carrier-protein] hydratase activity |
| A | 0047451 | molecular_function | (3R)-3-hydroxyoctanoyl-[acyl-carrier-protein] dehydratase activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004317 | molecular_function | (3R)-3-hydroxypalmitoyl-[acyl-carrier-protein] dehydratase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006633 | biological_process | fatty acid biosynthetic process |
| B | 0006636 | biological_process | unsaturated fatty acid biosynthetic process |
| B | 0008659 | molecular_function | (3R)-3-hydroxymyristoyl-[acyl-carrier-protein] dehydratase activity |
| B | 0008693 | molecular_function | (3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity |
| B | 0016829 | molecular_function | lyase activity |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0019171 | molecular_function | (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity |
| B | 0034017 | molecular_function | trans-2-decenoyl-acyl-carrier-protein isomerase activity |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0047450 | molecular_function | (3R)-3-hydroxybutanoyl-[acyl-carrier-protein] hydratase activity |
| B | 0047451 | molecular_function | (3R)-3-hydroxyoctanoyl-[acyl-carrier-protein] dehydratase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | TWO POLAR RESIDUES ARE FOUND IN THE CATALYTIC REGION OF THE ACTIVE SITE. |
| Chain | Residue |
| A | HIS70 |
| B | ASP84 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | TWO POLAR RESIDUES ARE FOUND IN THE CATALYTIC REGION OF THE ACTIVE SITE. |
| Chain | Residue |
| B | HIS70 |
| A | ASP84 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE DAC A 172 |
| Chain | Residue |
| A | GLY115 |
| B | GLN27 |
| B | TRP87 |
| B | GLY91 |
| B | ARG104 |
| B | ALA105 |
| B | LEU106 |
| B | PHE171 |
| A | HIS70 |
| A | PHE71 |
| A | MET77 |
| A | GLY79 |
| A | PHE113 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE DAC B 172 |
| Chain | Residue |
| A | GLN27 |
| A | GLY91 |
| A | ARG104 |
| A | ALA105 |
| A | LEU106 |
| A | PHE171 |
| B | HIS70 |
| B | PHE71 |
| B | MET77 |
| B | GLY79 |
| B | PHE113 |
| B | GLY115 |
| B | GLN116 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:21276098 |
| Chain | Residue | Details |
| A | PHE71 | |
| B | PHE71 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 5 |
| Details | a catalytic site defined by CSA, PubMed 8805534 |
| Chain | Residue | Details |
| A | HIS70 | |
| A | ASP84 | |
| A | VAL76 | |
| A | GLY79 | |
| A | CYS80 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 10 |
| Chain | Residue | Details |
| A | PHE71 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | MET77 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| A | CYS80 | electrostatic stabiliser, hydrogen bond donor |
| A | LEU81 | electrostatic stabiliser, hydrogen bond donor |
| A | ALA85 | hydrogen bond donor, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 10 |
| Chain | Residue | Details |
| B | PHE71 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | MET77 | activator, electrostatic stabiliser, hydrogen bond acceptor |
| B | CYS80 | electrostatic stabiliser, hydrogen bond donor |
| B | LEU81 | electrostatic stabiliser, hydrogen bond donor |
| B | ALA85 | hydrogen bond donor, proton acceptor, proton donor |
