Structure of PDB 5mwk Chain A Binding Site BS04 |
| >5mwk Chain A (length=1040) Species: 818 (Bacteroides thetaiotaomicron)
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LLREQFQNPSDEAKPWTFWYWMFGAVSKEGITADLEAMKRAGLGGTYLMP
IKGIKEGPQYNGKAQQLTPEWWEMVRFSMEEADRLGLKLGMHICDGFALA
GGPWMTPKESMQKIVWSDTIVDGGKIKGLHLPQPEAYEGFYEDISLFALP
VKEEAADVMPAQITCANIATGNHIDIKKTVNMDDAGVIRSSYPCYIQYEY
EQPFTCRNIEIILSGNNYQAHRLKVMASDDGVNYRLVKQLVPARQGWQNT
DENSTHAIPATTARYFRFYWTPEGSEPGSEDMDAAKWKPNLKIKELRLHR
EARLDQWEGKAGLVWRVASSTKKEEIGEQDCYALSQIINLTDPFERTLTA
TLPKGKWKLLRMGHTATGHTNATAGGGKGLECDKFNPKAVRKQFDNWFAQ
AFVKTNPDVARRVLKYMHVDSWQCGSQNWSDTFAAEFRKRRGYDLMPYLP
LLAGIPMESAERSEKILRDVRTTIGELVVDVFYQVLADCAKEYDCQFSAE
CVAPTMVSDGLLHYQKVDLPMGEFWLNSPTHDKPNDMLDAISGAHIYGKN
IIQAEGFTEVRGTWNEHPGILKALLDRNYALGINRLFFHVYVHNPWLDRK
PGMTLDGIGLFFQRDQTWWNKGAKAFCEYITRCQSLLQYGHPVADIAVFT
GEEMPRRSILPERLVPSLPGIFGAERVESERIRLANEGQPLRVRPVGVTH
SANMSDPEKWVNPLRGYAYDSFNKDALLRLAKAENGRMTLPGGASYKVLV
LPLPRPMNPDPAALSPEVKQKINELKEAGILIPSLPYKEDDFSSYGLERD
LIVPENIAWTHRQGEQGDIYFIANQLEETRTFTASMRIDGRKPECWNPVT
GEINADIPYEQKSHRTEITLTLAPNESVFIVYPATGLEATEYTVTFTANG
KTIQRQELFDWSKEEDEQIRYYSGTAVYKTTFRWKSKVKEDQQVYLNLGK
VCDLATVRVNGIDCGTIWTAPYRADITAALKKGVNELEIEVTNTWANALK
GADEGKAPFDGIWTNAKYRRAENTLLPAGLLGPLNFDVAN |
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| Ligand ID | 8PK |
| InChI | InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1 |
| InChIKey | MOOIWRPNHMPYOB-BARZSYDPSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)O)O[C@H](C)O | | OpenEye OEToolkits 2.0.6 | CC1C(C(C(C(O1)O)OC)O)OC(C)O | | CACTVS 3.385 | CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O | | CACTVS 3.385 | CO[C@@H]1[C@H](O)O[C@@H](C)[C@@H](O[C@H](C)O)[C@H]1O |
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| Formula | C9 H18 O6 |
| Name | 4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose;
2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose;
6-deoxy-4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-galactopyranose;
4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucose;
4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-L-fucose;
4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-fucose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5mwk Chain B Residue 6
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