Structure of PDB 2zxc Chain A Binding Site BS02 |
| >2zxc Chain A (length=643) Species: 287 (Pseudomonas aeruginosa)
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DLPYRFGLGKADITGEAAEVGMMGYSSLEQKTAGIHMRQWARAFVIEEAA
SGRRLVYVNTDLGMIFQAVHLKVLARLKAKYPGVYDENNVMLAATHTHSG
PGGFSHYAMYNLSVLGFQEKTFNAIVDGIVRSIERAQARLQPGRLFYGSG
ELRNASRNRSLLSHLKNPDIAGYEDGIDPQMSVLSFVDANGELAGAISWF
PVHSTSMTNANHLISPDNKGYASYHWEHDVSRKSGFVAAFAQTNAGNLSP
NLNLKPGSGPFDNEFDNTREIGLRQFAKAYEIAGQAQEEVLGELDSRFRF
VDFTRLPIRPEFTDGQPRQLCTAAIGTSLAAGSTEDGPGPLGLEEGNNPF
LSALGGLLTGVPPQELVQCQAEKTILADTGNKKPYPWTPTVLPIQMFRIG
QLELLGAPAEFTVMAGVRIRRAVQAASEAAGIRHVVFNGYANAYASYVTT
REEYAAQEYEGGSTLYGPWTQAAYQQLFVDMAVALRERLPVETSAIAPDL
SCCQMNFQTGVVADDPYIGKSFGDVLQQPRESYRIGDKVTVAFVTGHPKN
DLRTEKTFLEVVNIGKDGKQTPVTVATDNDWDTQYRWERVGISASKATIS
WSIPPGTEPGHYYIRHYGNAKNFWTQKISEIGGSTRSFEVLGT |
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| Ligand ID | 2ED |
| InChI | InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1 |
| InChIKey | BLTCBVOJNNKFKC-KTEGJIGUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCC\C=C\[C@H]([C@@H](CO)NC(=O)C)O | | CACTVS 3.341 | CCCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(C)=O | | OpenEye OEToolkits 1.5.0 | CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)O | | CACTVS 3.341 | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](CO)NC(C)=O | | ACDLabs 10.04 | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C |
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| Formula | C20 H39 N O3 |
| Name | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide;
C2-ceramide |
| ChEMBL | |
| DrugBank | DB06960 |
| ZINC | ZINC000008830549
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| PDB chain | 2zxc Chain A Residue 701
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| Enzyme Commision number |
3.5.1.23: ceramidase. |
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