Structure of PDB 6ql9 Chain K Binding Site BS01

Receptor Information
>6ql9 Chain K (length=2035) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YSTRPLTLSHGSLEHVLLVPTASFFIASQLQEQFNKILPEPTEGFAADDE
PTTPAELVGKFLGYVSSLVEPSKVGQFDQVLNLCLTEFENCYLEGNDIHA
LAAKLLQENDTTLVKTKELIKNYITARIMAKRPFDKKSNSALFRAVGEGN
AQLVAIFGGQGNTDDYFEELRDLYQTYHVLVGDLIKFSAETLSELIRTTL
DAEKVFTQGLNILEWLENPSNTPDKDYLLSIPISCPLIGVIQLAHYVVTA
KLLGFTPGELRSYLKGATGHSQGLVTAVAIAETDSWESFFVSVRKAITVL
FFIGVRCYEAYPNTSLPPSILEDSLENNEGVPSPMLSISNLTQEQVQDYV
NKTNSHLPAGKQVEISLVNGAKNLVVSGPPQSLYGLNLTLRKAKAPSGLD
QSRIPFSERKLKFSNRFLPVASPFHSHLLVPASDLINKDLVKNNVSFNAK
DIQIPVYDTFDGSDLRVLSGSISERIVDCIIRLPVKWETTTQFKATHILD
FGPGGASGLGVLTHRNKDGTGVRVIVAGTLDINPDDDYGFKQEIFDVTSN
GLKKNPNWLEEYHPKLIKNKSGKIFVETKFSKLIGRPPLLVPGMTPCTVS
PDFVAATTNAGYTIELAGGGYFSAAGMTAAIDSVVSQIEKGSTFGINLIY
VNPFMLQWGIPLIKELRSKGYPIQFLTIGAGVPSLEVASEYIETLGLKYL
GLKPGSIDAISQVINIAKAHPNFPIALQWTGGRGGGHHSFEDAHTPMLQM
YSKIRRHPNIMLIFGSGFGSADDTYPYLTGEWSTKFDYPPMPFDGFLFGS
RVMIAKEVKTSPDAKKCIAACTGVPDDKWEQTYKKPTGGIVTVRSEMGEP
IHKIATRGVMLWKEFDETIFNLPKNKLVPTLEAKRDYIISRLNADFQKPW
FATVNGQARDLATMTYEEVAKRLVELMFIRSTNSWFDVTWRTFTGDFLRR
VEERFTKSKTLSLIQSYSLLDKPDEAIEKVFNAYPAAREQFLNAQDIDHF
LSMCQNPMQKPVPFVPVLDRRFEIFFKKDSLWQSEHLEAVVDQDVQRTCI
LHGPVAAQFTKVIDEPIKSIMDGIHDGHIKKLLHQYYGDDESKIPAVEYF
GGESPVDDSAVFKATSSTDEESWFKALAGSEINWRHASFLCSFITQDKMF
VSNPIRKVFKPSQGMVVEISNGNTSSKTVVTLSEPVQGELKPTVILKLLK
ENIIQMEMIENRTMDGKPVSLPLLYNFNPDNGFAPISEVMEDRNQRIKEM
YWKLWIDEPFNLDFDPRDVIKGKDFEITAKEVYDFTHAVGNNCEDFVSRP
DRTMLAPMDFAIVVGWRAIIKAIFPNTVDGDLLKLVHLSNGYKMIPGAKP
LQVGDVVSTTAVIESVVNQPTGKIVDVVGTLSRNGKPVMEVTSSFFYRGN
YTDFENTFQKTVEPVYQMHIKTSKDIAVLRSKEWFQLDDEDFDLLNKTLT
FETETEVTFKNANIFSSVKCFGPIKVELPTKETVEIGIVDYEAGASHGNP
VVDFLKRNGSTLEQKVNLENPIPIAVLDSYTPSTNEPYARVSGDLNPIHV
SRHFASYANLPGTITHGMFSSASVRALIENWAADSVSSRVRGYTCQFVDM
VLPNTALKTSIQHVGMINGRKLIKFETRNEDDVVVLTGEAEIEQPVTTFV
FTGQGSQEQGMGMDLYKTSKAAQDVWNRADNHFKDTYGFSILDIVINNPV
NLTIHFGGEKGKRIRENYSAMIFETIVDGKLKTEKIFKEINEHSTSYTFR
SEKGLLSATQFTQPALTLMEKAAFEDLKSKGLIPADATFAGHSLGEYAAL
ASLADVMSIESLVEVVFYRGMTMQVAVPRDELGRSNYGMIAINPGRVAAS
FSQEALQYVVERVGKRTGWLVEIVNYNVENQQYVAAGDLRALDTVTNVLN
FIKLQKIDIIELQKSLSLEEVEGHLFEIIDEASKKSAVKPRPLKLERGFA
CIPLVGISVPFHSTYLMNGVKPFKSFLKKNIIKENVKVARLAGKYIPNLT
AKPFQVTKEYFQDVYDLTGSEPIKEIIDNWEKYEQ
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/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/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain6ql9 Chain K Residue 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6ql9 Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		P595 G596 M597 T598 N650 K706 G737 G738 S769 G770 G802 S803 L1054
Binding residue
(residue number reindexed from 1)		P592 G593 M594 T595 N647 K703 G734 G735 S766 G767 G799 S800 L1051
Annotation score1
Enzymatic activity
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.
Gene Ontology
Molecular Function
GO:0004312 fatty acid synthase activity
GO:0004313 [acyl-carrier-protein] S-acetyltransferase activity
GO:0004314 [acyl-carrier-protein] S-malonyltransferase activity
GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
GO:0004321 fatty-acyl-CoA synthase activity
GO:0005515 protein binding
GO:0016297 fatty acyl-[ACP] hydrolase activity
GO:0016409 palmitoyltransferase activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0019171 (3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
GO:0141148 enoyl-[acyl-carrier-protein] reductase (NADPH) activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0042759 long-chain fatty acid biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005811 lipid droplet
GO:0005829 cytosol
GO:0005835 fatty acid synthase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ql9, PDBe:6ql9, PDBj:6ql9
PDBsum6ql9
PubMed32160528
UniProtP07149|FAS1_YEAST Fatty acid synthase subunit beta (Gene Name=FAS1)

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