Structure of PDB 1e6z Chain B Binding Site BS01 |
| >1e6z Chain B (length=498) Species: 615 (Serratia marcescens)
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STRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSF
LDINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSN
DLGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWEYPQAAEV
DGFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQ
IVAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWS
WEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSG
GNGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQG
NYGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVM
FWHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIM
TAPAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA |
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| Ligand ID | NGO |
| InChI | InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1 |
| InChIKey | PDBSWNMXMILYCQ-PVFLNQBWSA-O |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.5.0 | CC1=[NH+]C2C(C(C(OC2O1)CO)O)O | | OpenEye OEToolkits 1.5.0 | CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O | | CACTVS 3.341 | CC1=[NH+][CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O1 | | CACTVS 3.341 | CC1=[NH+][C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O1 | | ACDLabs 10.04 | O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C |
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| Formula | C8 H14 N O5 |
| Name | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE;
N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 1e6z Chain B Residue 504
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