6B9T
Crystal structure of MPnS with substrate 2-hydroxyethylphosphonate (2-HEP) and Fe(II) bound
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0003700 | molecular_function | DNA-binding transcription factor activity |
| A | 0006355 | biological_process | regulation of DNA-templated transcription |
| A | 0008198 | molecular_function | ferrous iron binding |
| A | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| A | 0032923 | biological_process | organic phosphonate biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051213 | molecular_function | dioxygenase activity |
| A | 0055114 | biological_process | obsolete oxidation-reduction process |
| B | 0003677 | molecular_function | DNA binding |
| B | 0003700 | molecular_function | DNA-binding transcription factor activity |
| B | 0006355 | biological_process | regulation of DNA-templated transcription |
| B | 0008198 | molecular_function | ferrous iron binding |
| B | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| B | 0032923 | biological_process | organic phosphonate biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051213 | molecular_function | dioxygenase activity |
| B | 0055114 | biological_process | obsolete oxidation-reduction process |
| C | 0003677 | molecular_function | DNA binding |
| C | 0003700 | molecular_function | DNA-binding transcription factor activity |
| C | 0006355 | biological_process | regulation of DNA-templated transcription |
| C | 0008198 | molecular_function | ferrous iron binding |
| C | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| C | 0032923 | biological_process | organic phosphonate biosynthetic process |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0051213 | molecular_function | dioxygenase activity |
| C | 0055114 | biological_process | obsolete oxidation-reduction process |
| D | 0003677 | molecular_function | DNA binding |
| D | 0003700 | molecular_function | DNA-binding transcription factor activity |
| D | 0006355 | biological_process | regulation of DNA-templated transcription |
| D | 0008198 | molecular_function | ferrous iron binding |
| D | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| D | 0032923 | biological_process | organic phosphonate biosynthetic process |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0051213 | molecular_function | dioxygenase activity |
| D | 0055114 | biological_process | obsolete oxidation-reduction process |
| E | 0003677 | molecular_function | DNA binding |
| E | 0003700 | molecular_function | DNA-binding transcription factor activity |
| E | 0006355 | biological_process | regulation of DNA-templated transcription |
| E | 0008198 | molecular_function | ferrous iron binding |
| E | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| E | 0032923 | biological_process | organic phosphonate biosynthetic process |
| E | 0046872 | molecular_function | metal ion binding |
| E | 0051213 | molecular_function | dioxygenase activity |
| E | 0055114 | biological_process | obsolete oxidation-reduction process |
| F | 0003677 | molecular_function | DNA binding |
| F | 0003700 | molecular_function | DNA-binding transcription factor activity |
| F | 0006355 | biological_process | regulation of DNA-templated transcription |
| F | 0008198 | molecular_function | ferrous iron binding |
| F | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| F | 0032923 | biological_process | organic phosphonate biosynthetic process |
| F | 0046872 | molecular_function | metal ion binding |
| F | 0051213 | molecular_function | dioxygenase activity |
| F | 0055114 | biological_process | obsolete oxidation-reduction process |
| G | 0003677 | molecular_function | DNA binding |
| G | 0003700 | molecular_function | DNA-binding transcription factor activity |
| G | 0006355 | biological_process | regulation of DNA-templated transcription |
| G | 0008198 | molecular_function | ferrous iron binding |
| G | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| G | 0032923 | biological_process | organic phosphonate biosynthetic process |
| G | 0046872 | molecular_function | metal ion binding |
| G | 0051213 | molecular_function | dioxygenase activity |
| G | 0055114 | biological_process | obsolete oxidation-reduction process |
| H | 0003677 | molecular_function | DNA binding |
| H | 0003700 | molecular_function | DNA-binding transcription factor activity |
| H | 0006355 | biological_process | regulation of DNA-templated transcription |
| H | 0008198 | molecular_function | ferrous iron binding |
| H | 0016702 | molecular_function | oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen |
| H | 0032923 | biological_process | organic phosphonate biosynthetic process |
| H | 0046872 | molecular_function | metal ion binding |
| H | 0051213 | molecular_function | dioxygenase activity |
| H | 0055114 | biological_process | obsolete oxidation-reduction process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue FE A 501 |
| Chain | Residue |
| A | HIS148 |
| A | GLN152 |
| A | HIS190 |
| A | 2HE502 |
| A | HOH601 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue 2HE A 502 |
| Chain | Residue |
| A | ASN145 |
| A | HIS148 |
| A | GLN152 |
| A | HIS190 |
| A | PHE192 |
| A | FE501 |
| A | HOH601 |
| A | HOH653 |
| B | LYS28 |
| B | TRP449 |
| A | ARG102 |
| A | TYR108 |
| A | TYR110 |
| A | ILE126 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue FE B 501 |
| Chain | Residue |
| A | LYS28 |
| B | HIS148 |
| B | GLN152 |
| B | HIS190 |
| B | 2HE503 |
| B | HOH621 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue FE B 502 |
| Chain | Residue |
| B | GLU159 |
| B | HOH609 |
| H | GLU159 |
| H | HOH696 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | binding site for residue 2HE B 503 |
| Chain | Residue |
| A | LYS28 |
| A | TRP449 |
| B | ARG102 |
| B | TYR108 |
| B | TYR110 |
| B | ILE126 |
| B | ASN145 |
| B | HIS148 |
| B | GLN152 |
| B | HIS190 |
| B | PHE192 |
| B | FE501 |
| B | HOH621 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue FMT B 504 |
| Chain | Residue |
| A | PHE433 |
| B | PHE236 |
| B | ALA242 |
| B | PRO303 |
| B | ASN304 |
| B | HOH615 |
| B | HOH650 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue FE C 501 |
| Chain | Residue |
| C | HIS148 |
| C | GLN152 |
| C | HIS190 |
| C | 2HE502 |
| C | HOH601 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | binding site for residue 2HE C 502 |
| Chain | Residue |
| C | ARG102 |
| C | TYR108 |
| C | TYR110 |
| C | ILE126 |
| C | ASN145 |
| C | HIS148 |
| C | GLN152 |
| C | HIS190 |
| C | PHE192 |
| C | FE501 |
| C | HOH601 |
| C | HOH635 |
| D | LYS28 |
| D | TRP449 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue FMT C 503 |
| Chain | Residue |
| C | PHE236 |
| C | ALA242 |
| C | PRO303 |
| C | ASN304 |
| C | HOH631 |
| C | HOH688 |
| C | HOH697 |
| D | PHE433 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue FE D 501 |
| Chain | Residue |
| D | HIS148 |
| D | GLN152 |
| D | HIS190 |
| D | 2HE502 |
| D | HOH601 |
| site_id | AD2 |
| Number of Residues | 14 |
| Details | binding site for residue 2HE D 502 |
| Chain | Residue |
| C | LYS28 |
| C | TRP449 |
| D | ARG102 |
| D | TYR108 |
| D | TYR110 |
| D | ILE126 |
| D | ASN145 |
| D | HIS148 |
| D | GLN152 |
| D | HIS190 |
| D | PHE192 |
| D | FE501 |
| D | HOH601 |
| D | HOH665 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue FMT D 503 |
| Chain | Residue |
| D | ASN304 |
| D | HOH634 |
| D | HOH683 |
| C | PHE433 |
| D | PHE236 |
| D | ALA242 |
| D | PRO303 |
| site_id | AD4 |
| Number of Residues | 6 |
| Details | binding site for residue FE E 501 |
| Chain | Residue |
| E | HIS148 |
| E | GLN152 |
| E | HIS190 |
| E | 2HE502 |
| E | HOH608 |
| F | LYS28 |
| site_id | AD5 |
| Number of Residues | 14 |
| Details | binding site for residue 2HE E 502 |
| Chain | Residue |
| E | ARG102 |
| E | TYR108 |
| E | TYR110 |
| E | ILE126 |
| E | ASN145 |
| E | HIS148 |
| E | GLN152 |
| E | HIS190 |
| E | PHE192 |
| E | FE501 |
| E | HOH608 |
| E | HOH655 |
| F | LYS28 |
| F | TRP449 |
| site_id | AD6 |
| Number of Residues | 8 |
| Details | binding site for residue FMT E 503 |
| Chain | Residue |
| E | PHE236 |
| E | ALA242 |
| E | PRO303 |
| E | ASN304 |
| E | HOH623 |
| E | HOH625 |
| E | HOH654 |
| F | PHE433 |
| site_id | AD7 |
| Number of Residues | 5 |
| Details | binding site for residue FE F 501 |
| Chain | Residue |
| F | HIS148 |
| F | GLN152 |
| F | HIS190 |
| F | 2HE502 |
| F | HOH601 |
| site_id | AD8 |
| Number of Residues | 13 |
| Details | binding site for residue 2HE F 502 |
| Chain | Residue |
| E | LYS28 |
| E | TRP449 |
| F | ARG102 |
| F | TYR110 |
| F | ILE126 |
| F | ASN145 |
| F | HIS148 |
| F | GLN152 |
| F | HIS190 |
| F | PHE192 |
| F | FE501 |
| F | HOH601 |
| F | HOH616 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue FMT F 503 |
| Chain | Residue |
| E | PHE433 |
| F | PHE236 |
| F | PRO303 |
| F | ASN304 |
| F | HOH608 |
| F | HOH656 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue FE G 501 |
| Chain | Residue |
| G | HIS148 |
| G | GLN152 |
| G | HIS190 |
| G | 2HE502 |
| H | LYS28 |
| site_id | AE2 |
| Number of Residues | 12 |
| Details | binding site for residue 2HE G 502 |
| Chain | Residue |
| G | ARG102 |
| G | TYR108 |
| G | TYR110 |
| G | ILE126 |
| G | ASN145 |
| G | HIS148 |
| G | GLN152 |
| G | HIS190 |
| G | PHE192 |
| G | FE501 |
| H | LYS28 |
| H | TRP449 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue FMT G 503 |
| Chain | Residue |
| G | PHE236 |
| G | PRO303 |
| G | ASN304 |
| G | HOH617 |
| H | PHE433 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue FE H 501 |
| Chain | Residue |
| G | LYS28 |
| H | HIS148 |
| H | GLN152 |
| H | HIS190 |
| H | 2HE502 |
| H | HOH601 |
| site_id | AE5 |
| Number of Residues | 13 |
| Details | binding site for residue 2HE H 502 |
| Chain | Residue |
| G | LYS28 |
| G | TRP449 |
| H | ARG102 |
| H | TYR110 |
| H | ILE126 |
| H | ASN145 |
| H | HIS148 |
| H | GLN152 |
| H | HIS190 |
| H | PHE192 |
| H | FE501 |
| H | HOH601 |
| H | HOH654 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 296 |
| Details | DNA_BIND: H-T-H motif => ECO:0000255|PROSITE-ProRule:PRU00257 |
| Chain | Residue | Details |
| A | GLU32-SER50 | |
| E | LYS258-THR277 | |
| F | GLU32-SER50 | |
| F | LYS258-THR277 | |
| G | GLU32-SER50 | |
| G | LYS258-THR277 | |
| H | GLU32-SER50 | |
| H | LYS258-THR277 | |
| A | LYS258-THR277 | |
| B | GLU32-SER50 | |
| B | LYS258-THR277 | |
| C | GLU32-SER50 | |
| C | LYS258-THR277 | |
| D | GLU32-SER50 | |
| D | LYS258-THR277 | |
| E | GLU32-SER50 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS148 | |
| E | HIS190 | |
| F | HIS148 | |
| F | HIS190 | |
| G | HIS148 | |
| G | HIS190 | |
| H | HIS148 | |
| H | HIS190 | |
| A | HIS190 | |
| B | HIS148 | |
| B | HIS190 | |
| C | HIS148 | |
| C | HIS190 | |
| D | HIS148 | |
| D | HIS190 | |
| E | HIS148 |
