Structure of PDB 8qf8 Chain A Binding Site BS01 |
| >8qf8 Chain A (length=776) Species: 818 (Bacteroides thetaiotaomicron)
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NHQVSYFSLQDVKLLSSPFLQAQQTDLHYILALDPDRLSAPFLREAGLTP
KAPSYTNWENTGLDGHIGGHYLSALSMMYAATGDTAIYHRLNYMLNELHR
AQQAVGTGFIGGTPGSLQLWKEIKAGDIRAGGFSLNGKWVPLYNIHKTYA
GLRDAYLYAHSDLARQMLIDLTDWMIDITSGLSDNQMQDMLRSEHGGLNE
TFADVAEITGDKKYLKLARRFSHKVILDPLIKNEDRLNGMHANTQIPKVI
GYKRVAEVSKNDKDWNHAAEWDHAARFFWNTVVNHRSVCIGGNSVREHFH
PSDNFTSMLNDVQGPETCNTYNMLRLTKMLYQNSGDVDNSNKPDPRYVDY
YERALYNHILSSQEPDKGGFVYFTPMRPGHYRVYSQPETSMWCCVGSGLE
NHTKYGEFIYAHQQDTLYVNLFIPSQLNWKEQGVTLTQETLFPDDEKVTL
RIDKAAKKNLTLMIRIPEWAYEITINGKKHLSDIQTGASTYLPIRRKWKK
GDMITFHLPMKVSLEQIPDKKDYYAFLYGPIVLATSTGTENLDGIYADDS
RGGHIAHGRQTPLQEIPMLIGNPDSIRHSLHKLSGSKLAFSYDGNVYPTQ
KSKSLELIPFFRLHNSRYAVYFRQASEEQFKTIQEEMATAERKATELANR
TVDLIFPGEQQPESDHSIQYEASETGTHKDRHFRRAKGWFSYNLKIKEEA
SQLMITVRQEDRNKAVILLNNEKLTVHPTVSKADKDGFIRLCYLLPRKLK
VGSCEILFKPDGTEWTSAVYEVRLLK |
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| Ligand ID | UI5 |
| InChI | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1 |
| InChIKey | XJKPQBOZNVQXOP-ZXXMMSQZSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C1C(C(C(C1O)O)CO)N | | CACTVS 3.385 | N[CH]1C[CH](O)[CH](O)[CH]1CO | | CACTVS 3.385 | N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO | | OpenEye OEToolkits 2.0.7 | C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N |
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| Formula | C6 H13 N O3 |
| Name | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8qf8 Chain A Residue 901
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