Structure of PDB 1ur8 Chain B Binding Site BS01 |
| >1ur8 Chain B (length=497) Species: 615 (Serratia marcescens)
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TRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFL
DINSNLECAWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSND
LGVSHANYVNAVKTPASRAKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVD
GFIAALQEIRTLLNQQTITDGRQALPYQLTIAGAGGAFFLSRYYSKLAQI
VAPLDYINLMTYDLAGPWEKVTNHQAALFGDAAGPTFYNALREANLGWSW
EELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVSGG
NGGQYSSHSTPGEDPYPSTDYWLVGCEECVRDKDPRIASYRQLEQMLQGN
YGYQRLWNDKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMF
WHLGQDNRNGDLLAALDRYFNAADYDDSQLDMGTGLRYTGVGPGNLPIMT
APAYVPGTTYAQGALVSYQGYVWQTKWGYITSAPGSDSAWLKVGRVA |
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| Ligand ID | GDL |
| InChI | InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1 |
| InChIKey | NELQYZRSPDCGRQ-DBRKOABJSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(C(C(OC1=O)CO)O)O | | OpenEye OEToolkits 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O | | ACDLabs 10.04 | O=C1OC(CO)C(O)C(O)C1NC(=O)C | | CACTVS 3.341 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O |
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| Formula | C8 H13 N O6 |
| Name | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone;
2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE |
| ChEMBL | |
| DrugBank | DB02813 |
| ZINC | ZINC000005438581
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| PDB chain | 1ur8 Chain D Residue 1
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