Structure of PDB 4ipn Chain B Binding Site BS02 |
| >4ipn Chain B (length=457) Species: 170187 (Streptococcus pneumoniae TIGR4)
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TIFPDDFLWGGAVAANQVEGAYNEDGKGLSVQDVLPKGGLGEATENPTED
NLKLIGIDFYHKYKEDISLFSEMGFNVFRTSIAWSRIFPKGDEEEPNEAG
LKYYDELFDELHAHGIEPLVTLSHYETPLYLARKYHGWVDRRMIHFYEKF
ARTVLERYKDKVKYWLTFNEVNSVLELPFTSGGIDIPKENLSKQELYQAI
HHELVASSLVTKIAREINSEFKVGCMVLAMPAYPMTPNPKDVWATHEYEN
LNYLFSDVHVRGYYPNYAKRYFKENDINIEFAAEDAELLKNYTVDFLSFS
YYMSVTQSALPGLVNPYLESSEWGWQIDPIGLRIILNRYYDRYQIPLFIV
ENGLGAKDQLIKDELNNLTVQDDYRIQYMKEHLLQVAEALQDGVEIMGYT
SWGCIDCVSMSTAQLSKRYGLIYVDRNDDGSGTLNRYKKMSFTWYKEVIE
SNGESLF |
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| Ligand ID | RTG |
| InChI | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4-,5+,6+/m0/s1 |
| InChIKey | NBSCHQHZLSJFNQ-DSOBHZJASA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | O[C@@H]1O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O | | ACDLabs 12.01 | O=P(O)(OCC1OC(C(C(C1O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O | | OpenEye OEToolkits 2.0.7 | C([C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O |
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| Formula | C6 H13 O9 P |
| Name | 6-O-phosphono-alpha-L-idopyranose |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4ipn Chain A Residue 2
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