6PU7
Human IDO1 in complex with compound 17 (N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004833 | molecular_function | L-tryptophan 2,3-dioxygenase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006569 | biological_process | L-tryptophan catabolic process |
| A | 0007565 | biological_process | female pregnancy |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0019441 | biological_process | obsolete L-tryptophan catabolic process to L-kynurenine |
| A | 0019805 | biological_process | quinolinate biosynthetic process |
| A | 0020037 | molecular_function | heme binding |
| A | 0030485 | cellular_component | smooth muscle contractile fiber |
| A | 0032421 | cellular_component | stereocilium bundle |
| A | 0033754 | molecular_function | indoleamine 2,3-dioxygenase activity |
| A | 0034354 | biological_process | 'de novo' NAD+ biosynthetic process from L-tryptophan |
| A | 0046006 | biological_process | regulation of activated T cell proliferation |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070234 | biological_process | positive regulation of T cell apoptotic process |
| B | 0004833 | molecular_function | L-tryptophan 2,3-dioxygenase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006569 | biological_process | L-tryptophan catabolic process |
| B | 0007565 | biological_process | female pregnancy |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0019441 | biological_process | obsolete L-tryptophan catabolic process to L-kynurenine |
| B | 0019805 | biological_process | quinolinate biosynthetic process |
| B | 0020037 | molecular_function | heme binding |
| B | 0030485 | cellular_component | smooth muscle contractile fiber |
| B | 0032421 | cellular_component | stereocilium bundle |
| B | 0033754 | molecular_function | indoleamine 2,3-dioxygenase activity |
| B | 0034354 | biological_process | 'de novo' NAD+ biosynthetic process from L-tryptophan |
| B | 0046006 | biological_process | regulation of activated T cell proliferation |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0070234 | biological_process | positive regulation of T cell apoptotic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | TYR126 |
| A | HIS346 |
| A | ILE349 |
| A | VAL350 |
| A | ILE354 |
| A | LEU384 |
| A | VAL391 |
| A | OY4502 |
| A | HOH636 |
| A | HOH638 |
| A | PHE163 |
| A | SER167 |
| A | PHE214 |
| A | PHE226 |
| A | ALA264 |
| A | GLY265 |
| A | PHE291 |
| A | ARG343 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | binding site for residue OY4 A 502 |
| Chain | Residue |
| A | VAL130 |
| A | PHE163 |
| A | SER167 |
| A | PHE226 |
| A | ARG231 |
| A | LEU234 |
| A | GLY262 |
| A | SER263 |
| A | ALA264 |
| A | GLY265 |
| A | HEM501 |
| site_id | AC3 |
| Number of Residues | 23 |
| Details | binding site for residue HEM B 501 |
| Chain | Residue |
| B | PHE163 |
| B | SER167 |
| B | VAL170 |
| B | PHE214 |
| B | PHE226 |
| B | SER263 |
| B | ALA264 |
| B | GLY265 |
| B | PHE270 |
| B | PHE291 |
| B | ARG343 |
| B | HIS346 |
| B | ILE349 |
| B | VAL350 |
| B | TYR353 |
| B | ILE354 |
| B | LEU384 |
| B | LEU388 |
| B | VAL391 |
| B | OY4502 |
| B | HOH642 |
| B | HOH677 |
| B | HOH694 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | binding site for residue OY4 B 502 |
| Chain | Residue |
| B | TYR126 |
| B | VAL130 |
| B | PHE163 |
| B | SER167 |
| B | PHE226 |
| B | ARG231 |
| B | LEU234 |
| B | GLY262 |
| B | SER263 |
| B | ALA264 |
| B | GLY265 |
| B | HEM501 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"proximal binding residue","evidences":[{"source":"PubMed","id":"16477023","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25313323","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2D0T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D0U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PK6","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
