Structure of PDB 6s2b Chain B Binding Site BS01 |
| >6s2b Chain B (length=512) Species: 27300 (Schwanniomyces occidentalis)
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SIDLSVDTSEYNRPLIHFTPEKGWMNAPNGLFYDKTAKLWHLYFQYNPNA
TAWGQPLYWGHATSNDLVHWDEHEIAIGPEHDNEGIFSGSIVVDHNNTSG
FFNSSIDPNQRIVAIYTNNIPDNQTQDIAFSLDGGYTFTKYENNPVIDVS
SNQFRDPKVFWHEDSNQWIMVVSKSQEYKIQIFGSANLKNWVLNSNFSSG
YYGNQYECPGLIEVPIENSDKSKWVMFLAINPGSPLGGSINQYFVGDFDG
FQFVPDDSQTRFVDIGKDFYAFQTFSEVEHGVLGLAWASNWQYADQVPTN
PWRSSTSLARNYTLRYVHTNAETKQLTLIQNPVLPDSINVVDKLKKKNVK
LTNKKPIKTNFKGSTGLFDFNITFKVLNLNVSPGKTHFDILINSQELNSS
VDSIKIGFDSSQSSFYIDRHIPNVEFPRKQFFTDKLAAYLEPLDYDQDLR
VFSLYGIVDKNIIELYFNDGTVAMTNTFFMGEGKYPHDIQIVTDTEEPLF
ELESVIIRELNK |
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| Ligand ID | KTE |
| InChI | InChI=1S/C10H20O9/c11-1-5(14)6(15)3-18-10(4-13)9(17)8(16)7(2-12)19-10/h5-9,11-17H,1-4H2/t5-,6+,7+,8+,9-,10+/m0/s1 |
| InChIKey | CPODZCVBMHISBV-NSTDSTDXSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C(C1C(C(C(O1)(CO)OCC(C(CO)O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([C@H](CO)O)O)O)O)O | | CACTVS 3.385 | OC[CH](O)[CH](O)CO[C]1(CO)O[CH](CO)[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H](O)[C@H](O)CO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
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| Formula | C10 H20 O9 |
| Name | (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6s2b Chain B Residue 607
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| Catalytic site (original residue number in PDB) |
A50 E230 |
| Catalytic site (residue number reindexed from 1) |
A27 E207 |
| Enzyme Commision number |
3.2.1.26: beta-fructofuranosidase. |
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