Structure of PDB 2w4x Chain A Binding Site BS01 |
| >2w4x Chain A (length=579) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482)
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SLQPPPQQLIVQNKTIDLPAVYQLNGGEEANPHAVKVLKELLSGMLISIG
EKGDKSVRKYSRQIPDHKEGYYLSVNEKEIVLAGNDERGTYYALQTFAQL
LKDGKLPEVEIKDYPSVRYRGVVEGFYGTPWSHQARLSQLKFYGKNKMNT
YIYGPKDDPYHSAPNWRLPYPDKEAAQLQELVAVANENEVDFVWAIHPGQ
DIKWNKEDRDLLLAKFEKMYQLGVRSFAVFFDDISGEGTNPQKQAELLNY
IDEKFAQVKPDINQLVMCPTEYNKSWSNPNGNYLTTLGDKLNPSIQIMWT
GDRVISDITRDGISWINERIKRPAYIWWNFPVSDYVRDHLLLGPVYGNDT
TIAKEMSGFVTNPMEHAESSKIAIYSVASYAWNPAKYDTWQTWKDAIRTI
LPSAAEELECFAMHNSDLGPNGHGYRREESMDIQPAAERFLKAFKEGKNY
DKADFETLQYTFERMKESADILLMNTENKPLIVEITPWVHQFKLTAEMGE
EVLKMVEGRNESYFLRKYNHVKALQQQMFYIDQTSNQNPYQPGVKTATRV
IKPLIDRTFATVVKFFNQKFNAHLDATTD |
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| Ligand ID | STZ |
| InChI | InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1 |
| InChIKey | ZSJLQEPLLKMAKR-NYMZXIIRSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.6.1 | CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O | | OpenEye OEToolkits 1.6.1 | CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O | | CACTVS 3.352 | CN(N=O)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O | | CACTVS 3.352 | CN(N=O)C(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O | | ACDLabs 10.04 | O=NN(C(=O)NC1C(O)C(O)C(OC1O)CO)C |
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| Formula | C8 H15 N3 O7 |
| Name | Streptozotocin;
2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000003995968
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| PDB chain | 2w4x Chain A Residue 1591
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| Enzyme Commision number |
3.2.1.169: protein O-GlcNAcase. |
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