Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23688 | Target Info | |||
| Target Name | Bacterial Deoxy-D-manno-octulosonate 8-phosphate synthase (Bact kdsA) | ||||
| Synonyms | kdsA; Phospho-2-dehydro-3-deoxyoctonate aldolase; KDOPS; KDOP synthase; KDO8PS; KDO8P synthase; KDO8-P synthase; KDO-8-phosphate synthetase; 3-deoxy-D-manno-octulosonic acid 8-phosphate synthetase; 3-Deoxy-d-manno-2-octulosonate-8-phosphate synthase; 2-dehydro-3-deoxyphosphooctonate aldolase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | Bact kdsA | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphoenolpyruvate | Ligand Info | |||
| Canonical SMILES | C=C(C(=O)O)OP(=O)(O)O | ||||
| InChI | 1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) | ||||
| InChIKey | DTBNBXWJWCWCIK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1005 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1Q3N Crystal structure of KDO8P synthase in its binary complex with substrate PEP | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
MKQKVVSIGD
10 INVANDLPFV20 LFGGMNVLES30 RDLAMRICEH40 YVTVTQKLGI50 PYVFKASFDK 60 ANRSSIHSYR70 GPGLEEGMKI80 FQELKQTFGV90 KIITDVHEPS100 QAQPVADVVD 110 VIQLPAFLAR120 QTDLVEAMAK130 TGAVINVKKP140 QFVSPGQMGN150 IVDKFKEGGN 160 EKVILCDRGA170 NFGYDNLVVD180 MLGFSIMKKV190 SGNSPVIFDV200 THALQRAQVA 222 ELARAGMAVG232 LAGLFIEAHP242 DPEHAKCDGP252 SALPLAKLEP262 FLKQMKAIDD 272 LVKGFEELDT282 SK
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| PDB ID: 1G7U CRYSTAL STRUCTURES OF KDO8P SYNTHASE IN ITS BINARY COMPLEX WITH SUBSTRATE PHOSPHOENOL PYRUVATE | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
MKQKVVSIGD
10 INVANDLPFV20 LFGGMNVLES30 RDLAMRICEH40 YVTVTQKLGI50 PYVFKASFDK 60 ANRSSIHSYR70 GPGLEEGMKI80 FQELKQTFGV90 KIITDVHEPS100 QAQPVADVVD 110 VIQLPAFLAR120 QTDLVEAMAK130 TGAVINVKKP140 QFVSPGQMGN150 IVDKFKEGGN 160 EKVILCDRGA170 NFGYDNLVVD180 MLGFSIMKKV190 SGNSPVIFDV200 THALQCRDPF 210 VAASGGRRAQ220 VAELARAGMA230 VGLAGLFIEA240 HPDPEHAKCD250 GPSALPLAKL 260 EPFLKQMKAI270 DDLVKGFEEL280 DTSK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of Escherichia coli KDO8P synthase complexes reveal the source of catalytic irreversibility. J Mol Biol. 2005 Aug 19;351(3):641-52. | ||||
| REF 2 | Crystal structures of KDOP synthase in its binary complexes with the substrate phosphoenolpyruvate and with a mechanism-based inhibitor. Biochemistry. 2001 May 29;40(21):6326-34. | ||||
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