Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Aminocarbonyl dihydrogen phosphate | Ligand Info | |||||
| Structure Description | HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND CATALYTIC MECHANISM | PDB:1C9Y | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(Phosphonoacetyl)-L-ornithine | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE | PDB:1OTH | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [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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ARG89
4.021
SER90
2.732
THR91
2.859
ARG92
2.863
THR93
2.774
ARG94
4.505
ARG141
2.787
LEU163
3.661
HIS168
2.811
GLN171
3.818
ASN198
3.307
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| Ligand Name: Norvaline | Ligand Info | |||||
| Structure Description | HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND CATALYTIC MECHANISM | PDB:1C9Y | ||||
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NVA or .NVA2 or .NVA3 or :3NVA;style chemicals stick;color identity;select .A:141 or .A:163 or .A:168 or .A:198 or .A:199 or .A:200 or .A:263 or .A:264 or .A:267 or .A:268 or .A:303 or .A:304 or .A:305; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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 | 1.85-A resolution crystal structure of human ornithine transcarbamoylase complexed with N-phosphonacetyl-L-ornithine. Catalytic mechanism and correlation with inherited deficiency. J Biol Chem. 1998 Dec 18;273(51):34247-54. | ||||
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