Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T89697 | Target Info | |||
| Target Name | Indoleamine 2,3-dioxygenase 1 (IDO1) | ||||
| Synonyms | Indoleamine-pyrrole 2,3-dioxygenase; INDO; IDO-1; IDO | ||||
| Target Type | Successful Target | ||||
| Gene Name | IDO1 | ||||
| Biochemical Class | Oxygenase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 4-phenylimidazole | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)C2=CN=CN2 | ||||
| InChI | 1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11) | ||||
| InChIKey | XHLKOHSAWQPOFO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 69590 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4U72 Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (A260G mutant) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
SKEYHIDEEV
21 GFALPNPQEN31 LPDFYNDWMF41 IAKHLPDLIE51 SGQLRERVEK61 LNMLSIDHLT 71 DHKSQRLARL81 VLGCITMAYV91 WGKGHGDVRK101 VLPRNIAVPY111 CQLSKKLELP 121 PILVYADCVL131 ANWKKKDPNK141 PLTYENMDVL151 FSFRDGDCSK161 GFFLVSLLVE 171 IAAASAIKVI181 PTVFKAMQMQ191 ERDTLLKALL201 EIASCLEKAL211 QVFHQIHDHV 221 NPKAFFSVLR231 IYLSGWKGNP241 QLSDGLVYEG251 FWEDPKEFGG261 GSAGQSSVFQ 271 CFDVLLGIQQ281 TAGGGHAAQF291 LQDMRRYMPP301 AHRNFLCSLE311 SNPSVREFVL 321 SKGDAGLREA331 YDACVKALVS341 LRSYHLQIVT351 KYILIPASQQ361 PGGTDLMNFL 388 KTVRSTTEKS398 LLKEG
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| PDB ID: 2D0T Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
SKEYHIDEEV
21 GFALPNPQEN31 LPDFYNDWMF41 IAKHLPDLIE51 SGQLRERVEK61 LNMLSIDHLT 71 DHKSQRLARL81 VLGCITMAYV91 WGKGHGDVRK101 VLPRNIAVPY111 CQLSKKLELP 121 PILVYADCVL131 ANWKKKDPNK141 PLTYENMDVL151 FSFRDGDCSK161 GFFLVSLLVE 171 IAAASAIKVI181 PTVFKAMQMQ191 ERDTLLKALL201 EIASCLEKAL211 QVFHQIHDHV 221 NPKAFFSVLR231 IYLSGWKGNP241 QLSDGLVYEG251 FWEDPKEFAG261 GSAGQSSVFQ 271 CFDVLLGIQQ281 TAGGGHAAQF291 LQDMRRYMPP301 AHRNFLCSLE311 SNPSVREFVL 321 SKGDAGLREA331 YDACVKALVS341 LRSYHLQIVT351 KYILIPASQG380 GTDLMNFLKT 390 VRSTTEKSLL400 KEG
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| PDB ID: 4U74 Crystal structure of 4-phenylimidazole bound form of human indoleamine 2,3-dioxygenase (G262A mutant) | ||||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | Yes | [3] |
| PDB Sequence |
SKEYHIDEEV
21 GFALPNPQEN31 LPDFYNDWMF41 IAKHLPDLIE51 SGQLRERVEK61 LNMLSIDHLT 71 DHKSQRLARL81 VLGCITMAYV91 WGKGHGDVRK101 VLPRNIAVPY111 CQLSKKLELP 121 PILVYADCVL131 ANWKKKDPNK141 PLTYENMDVL151 FSFRDGDCSK161 GFFLVSLLVE 171 IAAASAIKVI181 PTVFKAMQMQ191 ERDTLLKALL201 EIASCLEKAL211 QVFHQIHDHV 221 NPKAFFSVLR231 IYLSGWKGNP241 QLSDGLVYEG251 FWEDPKEFAG261 ASAGQSSVFQ 271 CFDVLLGIQQ281 TAGGGHAAQF291 LQDMRRYMPP301 AHRNFLCSLE311 SNPSVREFVL 321 SKGDAGLREA331 YDACVKALVS341 LRSYHLQIVT351 KYILIPASQQ361 PGGTDLMNFL 388 KTVRSTTEKS398 LLKEG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase | ||||
| REF 2 | Crystal structure of human indoleamine 2,3-dioxygenase: catalytic mechanism of O2 incorporation by a heme-containing dioxygenase. Proc Natl Acad Sci U S A. 2006 Feb 21;103(8):2611-6. | ||||
| REF 3 | Conformation and Mobility of Active Site Loop is Critical for Substrate Binding and Inhibition in Human Indoleamine 2,3-Dioxygenase | ||||
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