Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T24548 | Target Info | |||
| Target Name | Aspartate carbamoyltransferase (CAD) | ||||
| Synonyms | CAD | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CAD | ||||
| Biochemical Class | Carbon-nitrogen ligase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 5-Fluoro orotate | Ligand Info | |||
| Canonical SMILES | C1(=C(NC(=O)NC1=O)C(=O)O)F | ||||
| InChI | 1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | ||||
| InChIKey | SEHFUALWMUWDKS-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 69711 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4C6L Crystal structure of the dihydroorotase domain of human CAD bound to the inhibitor fluoroorotate at pH 6.0 | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [1] |
| PDB Sequence |
KLVRLPGLID
1469 VHVHLREPGG1479 THKEDFASGT1489 AAALAGGITM1499 VCAMPNTRPP1509 IIDAPALALA 1519 QKLAEAGARC1529 DFALFLGASS1539 ENAGTLGTVA1549 GSAAGLLYLN1560 ETFSELRLDS 1570 VVQWMEHFET1580 WPSHLPIVAH1590 AEQQTVAAVL1600 MVAQLTQRSV1610 HICHVARKEE 1620 ILLIKAAKAR1630 GLPVTCEVAP1640 HHLFLSHDDL1650 ERLGPGKGEV1660 RPELGSRQDV 1670 EALWENMAVI1680 DCFASDHAPH1690 TLEEKCGSRP1700 PPGFPGLETM1710 LPLLLTAVSE 1720 GRLSLDDLLQ1730 RLHHNPRRIF1740 HLPPQEDTYV1750 EVDLEHEWTI1760 PSHMPFSKAH 1770 WTPFEGQKVK1780 GTVRRVVLRG1790 EVAYIDGQVL1800 VPPGYGQDVR1810 KWPQGAVPQL 1820 PP
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| PDB ID: 4C6M Crystal structure of the dihydroorotase domain of human CAD bound to the inhibitor fluoroorotate at pH 7.0 | ||||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [1] |
| PDB Sequence |
KLVRLPGLID
1469 VHVHLREPGG1479 THKEDFASGT1489 AAALAGGITM1499 VCAMPNTRPP1509 IIDAPALALA 1519 QKLAEAGARC1529 DFALFLGASS1539 ENAGTLGTVA1549 GSAAGLLYLN1560 ETFSELRLDS 1570 VVQWMEHFET1580 WPSHLPIVAH1590 AEQQTVAAVL1600 MVAQLTQRSV1610 HICHVARKEE 1620 ILLIKAAKAR1630 GLPVTCEVAP1640 HHLFLSHDDL1650 ERLGPGKGEV1660 RPELGSRQDV 1670 EALWENMAVI1680 DCFASDHAPH1690 TLEEKCGSRP1700 PPGFPGLETM1710 LPLLLTAVSE 1720 GRLSLDDLLQ1730 RLHHNPRRIF1740 HLPPQEDTYV1750 EVDLEHEWTI1760 PSHMPFSKAH 1770 WTPFEGQKVK1780 GTVRRVVLRG1790 EVAYIDGQVL1800 VPPGYGQDVR1810 KWPQGAVPQL 1820 PP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure, functional characterization, and evolution of the dihydroorotase domain of human CAD. Structure. 2014 Feb 4;22(2):185-98. | ||||
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