Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T52098 | Target Info | |||
| Target Name | Ornithine transcarbamylase (OTC) | ||||
| Synonyms | OTCase; Ornithine carbamoyltransferase, mitochondrial | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | OTC | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Aminocarbonyl dihydrogen phosphate | Ligand Info | |||
| Canonical SMILES | C(=O)(N)OP(=O)(O)O | ||||
| InChI | 1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6) | ||||
| InChIKey | FFQKYPRQEYGKAF-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 278 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1C9Y HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND CATALYTIC MECHANISM | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
KVQLKGRDLL
43 TLKNFTGEEI53 KYMLWLSADL63 KFRIKQKGEY73 LPLLQGKSLG83 MIFEKRSTRT 93 RLSTETGFAL103 LGGHPCFLTT113 QDIHLGVNES123 LTDTARVLSS133 MADAVLARVY 143 KQSDLDTLAK153 EASIPIINGL163 SDLYHPIQIL173 ADYLTLQEHY183 SSLKGLTLSW 193 IGDGNNILHS203 IMMSAAKFGM213 HLQAATPKGY223 EPDASVTKLA233 EQYAKENGTK 243 LLLTNDPLEA253 AHGGNVLITD263 TWISMGREEE273 KKKRLQAFQG283 YQVTMKTAKV 293 AASDWTFLHC303 LPRKPEEVDD313 EVFYSPRSLV323 FPEAENRKWT333 IMAVMVSLLT 343 DYSPQLQKPK353 F
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| PDB ID: 1EP9 HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND CONFORMATIONAL CHANGE | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [2] |
| PDB Sequence |
VQLKGRDLLT
44 LKNFTGEEIK54 YMLWLSADLK64 FRIKQKGEYL74 PLLQGKSLGM84 IFEKRSTRTR 94 LSTETGFALL104 GGHPCFLTTQ114 DIHLGVNESL124 TDTARVLSSM134 ADAVLARVYK 144 QSDLDTLAKE154 ASIPIINGLS164 DLYHPIQILA174 DYLTLQEHYS184 SLKGLTLSWI 194 GDGNNILHSI204 MMSAAKFGMH214 LQAATPKGYE224 PDASVTKLAE234 QYAKENGTKL 244 LLTNDPLEAA254 HGGNVLITDT264 WISMGREEEK274 KKRLQAFQGY284 QVTMKTAKVA 294 ASDWTFLHCL304 PRKPEEVDDE314 VFYSPRSLVF324 PEAENRKWTI334 MAVMVSLLTD 344 YSPQLQKPKF354
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| PDB ID: 1FVO CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMYLASE COMPLEXED WITH CARBAMOYL PHOSPHATE | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [2] |
| PDB Sequence |
KVQLKGRDLL
43 TLKNFTGEEI53 KYMLWLSADL63 KFRIKQKGEY73 LPLLQGKSLG83 MIFEKRSTRT 93 RLSTETGFAL103 LGGHPCFLTT113 QDIHLGVNES123 LTDTARVLSS133 MADAVLARVY 143 KQSDLDTLAK153 EASIPIINGL163 SDLYHPIQIL173 ADYLTLQEHY183 SSLKGLTLSW 193 IGDGNNILHS203 IMMSAAKFGM213 HLQAATPKGY223 EPDASVTKLA233 EQYAKENGTK 243 LLLTNDPLEA253 AHGGNVLITD263 TWISMGREEE273 KKKRLQAFQG283 YQVTMKTAKV 293 AASDWTFLHC303 LPRKPEEVDD313 EVFYSPRSLV323 FPEAENRKWT333 IMAVMVSLLT 343 DYSPQLQKPK353 F
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human ornithine transcarbamylase complexed with carbamoyl phosphate and L-norvaline at 1.9 A resolution. Proteins. 2000 Jun 1;39(4):271-7. | ||||
| REF 2 | Human ornithine transcarbamylase: crystallographic insights into substrate recognition and conformational changes. Biochem J. 2001 Mar 15;354(Pt 3):501-9. | ||||
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