1DAK
DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004141 | molecular_function | dethiobiotin synthase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0009102 | biological_process | biotin biosynthetic process |
| A | 0016874 | molecular_function | ligase activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 A 803 |
| Chain | Residue |
| A | LYS148 |
| A | LEU149 |
| A | ARG183 |
| A | HIS184 |
| A | HOH767 |
| A | HOH768 |
| A | HOH769 |
| A | HOH792 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG A 901 |
| Chain | Residue |
| A | ASP54 |
| A | GLU115 |
| A | HOH444 |
| A | DPU801 |
| A | ADP802 |
| A | MG902 |
| A | THR16 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MG A 902 |
| Chain | Residue |
| A | HOH429 |
| A | HOH444 |
| A | HOH559 |
| A | HOH754 |
| A | DPU801 |
| A | ADP802 |
| A | MG901 |
| site_id | AC4 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE DPU A 801 |
| Chain | Residue |
| A | THR11 |
| A | LYS15 |
| A | LYS37 |
| A | ALA40 |
| A | SER41 |
| A | ASP54 |
| A | PRO79 |
| A | GLU115 |
| A | ALA117 |
| A | GLY118 |
| A | GLY150 |
| A | CYS151 |
| A | ILE152 |
| A | ASN153 |
| A | TYR187 |
| A | HOH559 |
| A | HOH655 |
| A | HOH717 |
| A | HOH754 |
| A | HOH755 |
| A | ADP802 |
| A | MG901 |
| A | MG902 |
| site_id | AC5 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE ADP A 802 |
| Chain | Residue |
| A | GLU12 |
| A | VAL13 |
| A | GLY14 |
| A | LYS15 |
| A | THR16 |
| A | VAL17 |
| A | GLU115 |
| A | ASN175 |
| A | ASP176 |
| A | PRO204 |
| A | TRP205 |
| A | LEU206 |
| A | PRO210 |
| A | GLU211 |
| A | HOH429 |
| A | HOH444 |
| A | HOH711 |
| A | HOH714 |
| A | HOH756 |
| A | DPU801 |
| A | MG901 |
| A | MG902 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000305|PubMed:9125495 |
| Chain | Residue | Details |
| A | PRO38 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:9865950, ECO:0007744|PDB:1BS1 |
| Chain | Residue | Details |
| A | VAL13 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:9576910, ECO:0000269|PubMed:9865950, ECO:0007744|PDB:1A82, ECO:0007744|PDB:1BS1, ECO:0007744|PDB:1DAK, ECO:0007744|PDB:1DAM |
| Chain | Residue | Details |
| A | VAL17 | |
| A | ALA55 | |
| A | GLY116 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:7669756, ECO:0000269|PubMed:9576910, ECO:0000269|PubMed:9865950, ECO:0007744|PDB:1BS1, ECO:0007744|PDB:1DAE, ECO:0007744|PDB:1DAF, ECO:0007744|PDB:1DAG, ECO:0007744|PDB:1DAH, ECO:0007744|PDB:1DAI, ECO:0007744|PDB:1DAK, ECO:0007744|PDB:1DAM |
| Chain | Residue | Details |
| A | GLY42 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:7669756, ECO:0000269|PubMed:9576910, ECO:0000269|PubMed:9865950, ECO:0007744|PDB:1A82, ECO:0007744|PDB:1BS1, ECO:0007744|PDB:1DAD, ECO:0007744|PDB:1DAF, ECO:0007744|PDB:1DAG, ECO:0007744|PDB:1DAH, ECO:0007744|PDB:1DAK, ECO:0007744|PDB:1DAM |
| Chain | Residue | Details |
| A | ASP176 | |
| A | TRP205 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:7669756, ECO:0000269|PubMed:9576910, ECO:0000269|PubMed:9865950, ECO:0007744|PDB:1A82, ECO:0007744|PDB:1BS1, ECO:0007744|PDB:1DAE, ECO:0007744|PDB:1DAF, ECO:0007744|PDB:1DAG, ECO:0007744|PDB:1DAH, ECO:0007744|PDB:1DAI, ECO:0007744|PDB:1DAK, ECO:0007744|PDB:1DAM |
| Chain | Residue | Details |
| A | MET188 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00336, ECO:0000269|PubMed:7669756, ECO:0000269|PubMed:9576910, ECO:0000269|PubMed:9865950, ECO:0007744|PDB:1A82, ECO:0007744|PDB:1BS1, ECO:0007744|PDB:1DAD, ECO:0007744|PDB:1DAF, ECO:0007744|PDB:1DAH, ECO:0007744|PDB:1DAK, ECO:0007744|PDB:1DAM |
| Chain | Residue | Details |
| A | ASN212 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 8 |
| Details | M-CSA 74 |
| Chain | Residue | Details |
| A | GLU12 | electrostatic stabiliser |
| A | VAL13 | metal ligand |
| A | THR16 | electrostatic stabiliser, hydrogen bond donor |
| A | VAL17 | metal ligand |
| A | PRO38 | electrostatic stabiliser, hydrogen bond donor |
| A | GLY42 | electrostatic stabiliser, hydrogen bond donor |
| A | ALA55 | metal ligand |
| A | GLY116 | metal ligand |
