Structure of PDB 7op6 Chain A Binding Site BS01 |
| >7op6 Chain A (length=837) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482)
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GNDTSEVMLLDTGWEFSQSGTEKWMPATVPGTVHQDLISHELLPNPFYGM
NEKKIQWVENEDWEYRTSFIVSEEQLNRDGIQLIFEGLDTYADVYLNGSL
LLKADNMFVGYTLPVKSVLRKGENHLYIYFHSPIRQTLPQYASNGFNYPA
DNDHHEKHLSVFSRKAPYSYGWDWGIRMVTSGVWRPVTLRFYDIATISDY
YVRQLSLTDENARLSNELIVNQIVPQKIPAEVRVNVSLNGTTVTEVKQQV
TLQPGINHITLPAEVTNPVRWMPNGWGTPTLYDFSAQIACGDRIVAEQSH
RIGLRTIRVVNEKDKDGESFYFEVNGIPMFAKGANYIPQDALLPNVTTER
YQTLFRDMKEANMNMVRIWGGGTYENNLFYDLADENGILVWQDFMFACTP
YPSDPTFLKRVEAEAVYNIRRLRNHASLAMWCGNNEILEALKYWGFEKKF
TPEVYQGLMHGYDKLFRELLPSTVKEFDSDRFYVHSSPYLANWGRPESWG
TGDSHNWGVWYGKKPFESLDTDLPRFMSEFGFQSFPEMKTIAAFAAPEDY
QIESEVMNAHQKSSIGNSLIRTYMERDYIIPESFEDFVYVGLVLQGQGMR
HGLEAHRRNRPYCMGTLYWQLNDSWPVVSWSSIDYYGNWKALHYQAKRAF
APVLINPIQQNDSLSVYLISDRLDTMEQMTLEMKVVDFDGKTLGKKIQVH
SLEVPANTSKCVYRAKLDGWLTPEDCRRSFLKLILKDKSGHQVAESVHFF
RKTKDLQLPPTSVSYQMKQTDGKCELTLFSSMLAKDIFIETPLQGARYSD
NFFDLLPGERKKVIITSPRIKKGEELPVNIKHIRETY |
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| Ligand ID | JIW |
| InChI | InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3+,4+,5-,6-,7+/m0/s1 |
| InChIKey | SWVTZDDSAFUTKS-DOMFMGKQSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C([C@H]1[C@H]([C@@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(C1O)O)O)O)N)O | | CACTVS 3.385 | N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO | | CACTVS 3.385 | N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO |
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| Formula | C7 H15 N O5 |
| Name | beta-D-manno-configured cyclophellitol aziridine, reacted form;
(1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 7op6 Chain A Residue 930
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| Enzyme Commision number |
3.2.1.25: beta-mannosidase. |
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