Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02703 | Target Info | |||
| Target Name | Nitric-oxide synthase inducible (NOS2) | ||||
| Synonyms | iNOS; Peptidyl-cysteine S-nitrosylase NOS2; Nitric oxide synthase, inducible; NOS2A; NOS type II; Inducible NOS; Inducible NO synthase; Hepatocyte NOS; HEP-NOS | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NOS2 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Ethylisothiourea | Ligand Info | |||
| Canonical SMILES | CCSC(=N)N | ||||
| InChI | 1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5) | ||||
| InChIKey | VFIZBHJTOHUOEK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5139 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2NSI HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
RHVRIKNWGS
92 GMTFQDTLHH102 KAKGILTCRS112 KSCLGSIMTP122 KSLTRGPRDK132 PTPPDELLPQ 142 AIEFVNQYYG152 SFKEAKIEEH162 LARVEAVTKE172 IETTGTYQLT182 GDELIFATKQ 192 AWRNAPRCIG202 RIQWSNLQVF212 DARSCSTARE222 MFEHICRHVR232 YSTNNGNIRS 242 AITVFPQRSD252 GKHDFRVWNA262 QLIRYAGYQM272 PDGSIRGDPA282 NVEFTQLCID 292 LGWKPKYGRF302 DVVPLVLQAN312 GRDPELFEIP322 PDLVLEVAME332 HPKYEWFREL 342 ELKWYALPAV352 ANMLLEVGGL362 EFPGCPFNGW372 YMGTEIGVRD382 FCDVQRYNIL 392 EEVGRRMGLE402 THKLASLWKD412 QAVVEINIAV422 LHSFQKQNVT432 IMDHHSAAES 442 FMKYMQNEYR452 SRGGCPADWI462 WLVPPMSGSI472 TPVFHQEMLN482 YVLSPFYYYQ 492 VEAWKTHVWQ502
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| PDB ID: 4NOS HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE WITH INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [2] |
| PDB Sequence |
RHVRIKNWGS
92 GMTFQDTLHH102 KAKGILTCRS112 KSCLGSIMTP122 KSLTRGPRDK132 PTPPDELLPQ 142 AIEFVNQYYG152 SFKEAKIEEH162 LARVEAVTKE172 IETTGTYQLT182 GDELIFATKQ 192 AWRNAPRCIG202 RIQWSNLQVF212 DARSCSTARE222 MFEHICRHVR232 YSTNNGNIRS 242 AITVFPQRSD252 GKHDFRVWNA262 QLIRYAGYQM272 PDGSIRGDPA282 NVEFTQLCID 292 LGWKPKYGRF302 DVVPLVLQAN312 GRDPELFEIP322 PDLVLEVAME332 HPKYEWFREL 342 ELKWYALPAV352 ANMLLEVGGL362 EFPGCPFNGW372 YMGTEIGVRD382 FCDVQRYNIL 392 EEVGRRMGLE402 THKLASLWKD412 QAVVEINIAV422 IHSFQKQNVT432 IMDHHSAAES 442 FMKYMQNEYR452 SRGGCPADWI462 WLVPPMSGSI472 TPVFHQEMLN482 YVLSPFYYYQ 492 VEAWKTHVWQ502 D
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase. J Biol Chem. 1999 Jul 23;274(30):21276-84. | ||||
| REF 2 | Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation. Nat Struct Biol. 1999 Mar;6(3):233-42. | ||||
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