Structure of PDB 5ae6 Chain A Binding Site BS02 |
| >5ae6 Chain A (length=762) Species: 51453 (Trichoderma reesei)
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ENNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYV
ERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFA
TKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLD
VYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLK
VAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKS
RSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFN
PHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSV
TRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKND
GTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHV
NFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIA
WPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPG
QSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPG
QTYIWYTGKPVYEFGSGLFYTTFKETLALKFNTSSILSAPHPGYTYSEQI
PVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIK
PGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVG
EEVTIENWPLEE |
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| Ligand ID | TXB |
| InChI | InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5+/m1/s1 |
| InChIKey | MFDZOCXKSSGEBR-LECHCGJUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 1.7.6 | C1C(C(C(C(O1)O)O)O)S | | OpenEye OEToolkits 1.7.6 | C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)S | | CACTVS 3.385 | O[CH]1OC[CH](S)[CH](O)[CH]1O | | CACTVS 3.385 | O[C@H]1OC[C@@H](S)[C@H](O)[C@H]1O |
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| Formula | C5 H10 O4 S |
| Name | 4-deoxy-4-thio-alpha-D-xylopyranose;
(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol;
THIOXYLOPYRANOSE;
4-deoxy-4-thio-alpha-D-xylose;
4-deoxy-4-thio-D-xylose;
4-deoxy-4-thio-xylose |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000584905764
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| PDB chain | 5ae6 Chain G Residue 1
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| Catalytic site (original residue number in PDB) |
D291 E490 |
| Catalytic site (residue number reindexed from 1) |
D291 E490 |
| Enzyme Commision number |
3.2.1.37: xylan 1,4-beta-xylosidase. |
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