Structure of PDB 5xsb Chain A Binding Site BS02 |
| >5xsb Chain A (length=675) Species: 322104 (Scheffersomyces stipitis CBS 6054)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
SVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDT
KWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPE
NTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVF
LGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVI
ARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGS
LAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAEN
QKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAA
VATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLG
DYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRL
SALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGN
ETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKA
DIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSV
LPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEG
VAERAAKTVAFYKGKDVVSPLRSAF |
|
|
| Ligand ID | 8EL |
| InChI | InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19) |
| InChIKey | FCUXBJDJFWOWMD-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1 | | OpenEye OEToolkits 2.0.6 | Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O |
|
| Formula | C12 H20 N4 O7 P2 S |
| Name | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 5xsb Chain A Residue 702
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
