Structure of PDB 8ps2 Chain G Binding Site BS01 |
| >8ps2 Chain G (length=2036) Species: 4932 (Saccharomyces cerevisiae)
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STRPLTLSHGSLEHVLLVPTASFFIASQLQEQFNKILPEPTEGFAADDEP
TTPAELVGKFLGYVSSLVEPSKVGQFDQVLNLCLTEFENCYLEGNDIHAL
AAKLLQENDTTLVKTKELIKNYITARIMAKRPFDKKSNSALFRAVGEGNA
QLVAIFGGQGNTDDYFEELRDLYQTYHVLVGDLIKFSAETLSELIRTTLD
AEKVFTQGLNILEWLENPSNTPDKDYLLSIPISCPLIGVIQLAHYVVTAK
LLGFTPGELRSYLKGATGHSQGLVTAVAIAETDSWESFFVSVRKAITVLF
FIGVRCYEAYPNTSLPPSILEDSLENNEGVPSPMLSISNLTQEQVQDYVN
KTNSHLPAGKQVEISLVNGAKNLVVSGPPQSLYGLNLTLRKAKAPSGLDQ
SRIPFSERKLKFSNRFLPVASPFHSHLLVPASDLINKDLVKNNVSFNAKD
IQIPVYDTFDGSDLRVLSGSISERIVDCIIRLPVKWETTTQFKATHILDF
GPGGASGLGVLTHRNKDGTGVRVIVAGTLDINPDDDYGFKQEIFDVTSNG
LKKNPNWLEEYHPKLIKNKSGKIFVETKFSKLIGRPPLLVPGMTPCTVSP
DFVAATTNAGYTIELAGGGYFSAAGMTAAIDSVVSQIEKGSTFGINLIYV
NPFMLQWGIPLIKELRSKGYPIQFLTIGAGVPSLEVASEYIETLGLKYLG
LKPGSIDAISQVINIAKAHPNFPIALQWTGGRGGGHHSFEDAHTPMLQMY
SKIRRHPNIMLIFGSGFGSADDTYPYLTGEWSTKFDYPPMPFDGFLFGSR
VMIAKEVKTSPDAKKCIAACTGVPDDKWEQTYKKPTGGIVTVRSEMGEPI
HKIATRGVMLWKEFDETIFNLPKNKLVPTLEAKRDYIISRLNADFQKPWF
ATVNGQARDLATMTYEEVAKRLVELMFIRSTNSWFDVTWRTFTGDFLRRV
EERFTKSKTLSLIQSYSLLDKPDEAIEKVFNAYPAAREQFLNAQDIDHFL
SMCQNPMQKPVPFVPVLDRRFEIFFKKDSLWQSEHLEAVVDQDVQRTCIL
HGPVAAQFTKVIDEPIKSIMDGIHDGHIKKLLHQYYGDDESKIPAVEYFG
GESPVDSEDSAVFKATSSTDEESWFKALAGSEINWRHASFLCSFITQDKM
FVSNPIRKVFKPSQGMVVEISNGNTSSKTVVTLSEPVQGELKPTVILKLL
KENIIQMEMIENRTMDGKPVSLPLLYNFNPDNGFAPISEVMEDRNQRIKE
MYWKLWIDEPFNLDFDPRDVIKGKDFEITAKEVYDFTHAVGNNCEDFVSR
PDRTMLAPMDFAIVVGWRAIIKAIFPNTVDGDLLKLVHLSNGYKMIPGAK
PLQVGDVVSTTAVIESVVNQPTGKIVDVVGTLSRNGKPVMEVTSSFFYRG
NYTDFENTFQKTVEPVYQMHIKTSKDIAVLRSKEWFQLDDEDFDLLNKTL
TFETETEVTFKNANIFSSVKCFGPIKVELPTKETVEIGIVDYEAGASHGN
PVVDFLKRNGSTLEQKVNLENPIPIAVLDSYTPSTNEPYARVSGDLNPIH
VSRHFASYANLPGTITHGMFSSASVRALIENWAADSVSSRVRGYTCQFVD
MVLPNTALKTSIQHVGMINGRKLIKFETRNEDDVVVLTGEAEIEQPVTTF
VFTGQGSQEQGMGMDLYKTSKAAQDVWNRADNHFKDTYGFSILDIVINNP
VNLTIHFGGEKGKRIRENYSAMIFETIVDGKLKTEKIFKEINEHSTSYTF
RSEKGLLSATQFTQPALTLMEKAAFEDLKSKGLIPADATFAGHSLGEYAA
LASLADVMSIESLVEVVFYRGMTMQVAVPRDELGRSNYGMIAINPGRVAA
SFSQEALQYVVERVGKRTGWLVEIVNYNVENQQYVAAGDLRALDTVTNVL
NFIKLQKIDIIELQKSLSLEEVEGHLFEIIDEASKKSAVKPRPLKLERGF
ACIPLVGISVPFHSTYLMNGVKPFKSFLKKNIIKENVKVARLAGKYIPNL
TAKPFQVTKEYFQDVYDLTGSEPIKEIIDNWEKYEQ |
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| Ligand ID | A3Z |
| InChI | InChI=1S/C15H27N2O8PS/c1-4-5-12(19)27-9-8-16-11(18)6-7-17-14(21)13(20)15(2,3)10-25-26(22,23)24/h4-5,13,20H,6-10H2,1-3H3,(H,16,18)(H,17,21)(H2,22,23,24)/b5-4+/t13-/m0/s1 |
| InChIKey | NQHWDUVVQOKJBX-IHVVCDCBSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O | | CACTVS 3.385 | CC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | | CACTVS 3.385 | C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O | | OpenEye OEToolkits 2.0.7 | C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O |
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| Formula | C15 H27 N2 O8 P S |
| Name | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8ps2 Chain B Residue 1901
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[Download structure with residue number starting from 1]
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| Enzyme Commision number |
1.3.1.9: enoyl-[acyl-carrier-protein] reductase (NADH).
2.3.1.38: [acyl-carrier-protein] S-acetyltransferase.
2.3.1.39: [acyl-carrier-protein] S-malonyltransferase.
2.3.1.86: fatty-acyl-CoA synthase system.
3.1.2.14: oleoyl-[acyl-carrier-protein] hydrolase.
4.2.1.59: 3-hydroxyacyl-[acyl-carrier-protein] dehydratase. |
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