Structure of PDB 8prw Chain J Binding Site BS02 |
| >8prw Chain J (length=2034) 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
GESPVEDSAVFKATSSTDEESWFKALAGSEINWRHASFLCSFITQDKMFV
SNPIRKVFKPSQGMVVEISNGNTSSKTVVTLSEPVQGELKPTVILKLLKE
NIIQMEMIENRTMDGKPVSLPLLYNFNPDNGFAPISEVMEDRNQRIKEMY
WKLWIDEPFNLDFDPRDVIKGKDFEITAKEVYDFTHAVGNNCEDFVSRPD
RTMLAPMDFAIVVGWRAIIKAIFPNTVDGDLLKLVHLSNGYKMIPGAKPL
QVGDVVSTTAVIESVVNQPTGKIVDVVGTLSRNGKPVMEVTSSFFYRGNY
TDFENTFQKTVEPVYQMHIKTSKDIAVLRSKEWFQLDDEDFDLLNKTLTF
ETETEVTFKNANIFSSVKCFGPIKVELPTKETVEIGIVDYEAGASHGNPV
VDFLKRNGSTLEQKVNLENPIPIAVLDSYTPSTNEPYARVSGDLNPIHVS
RHFASYANLPGTITHGMFSSASVRALIENWAADSVSSRVRGYTCQFVDMV
LPNTALKTSIQHVGMINGRKLIKFETRNEDDVVVLTGEAEIEQPVTTFVF
TGQGSQEQGMGMDLYKTSKAAQDVWNRADNHFKDTYGFSILDIVINNPVN
LTIHFGGEKGKRIRENYSAMIFETIVDGKLKTEKIFKEINEHSTSYTFRS
EKGLLSATQFTQPALTLMEKAAFEDLKSKGLIPADATFAGHSLGEYAALA
SLADVMSIESLVEVVFYRGMTMQVAVPRDELGRSNYGMIAINPGRVAASF
SQEALQYVVERVGKRTGWLVEIVNYNVENQQYVAAGDLRALDTVTNVLNF
IKLQKIDIIELQKSLSLEEVEGHLFEIIDEASKKSAVKPRPLKLERGFAC
IPLVGISVPFHSTYLMNGVKPFKSFLKKNIIKENVKVARLAGKYIPNLTA
KPFQVTKEYFQDVYDLTGSEPIKEIIDNWEKYEQ |
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| Ligand ID | FNR |
| InChI | InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1 |
| InChIKey | YTNIXZGTHTVJBW-SCRDCRAPSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | Cc1cc2NC3=C(NC(=O)NC3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C | | OpenEye OEToolkits 1.7.6 | Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP(=O)(O)O)O)O)O | | OpenEye OEToolkits 1.7.6 | Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O | | CACTVS 3.385 | Cc1cc2NC3=C(NC(=O)NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | | ACDLabs 12.01 | c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O |
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| Formula | C17 H23 N4 O9 P |
| Name | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL;
TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8prw Chain J Residue 2302
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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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