Structure of PDB 6fij Chain B Binding Site BS01

Receptor Information
>6fij Chain B (length=1275) Species: 29003 (Cercospora nicotianae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQMRVVAFGDQTYDCSEAVSQLLRVRDDAIVVDFLERAPAVLKAELARLS
SEQQEETPRFATLAELVPRYRAGTLNPAVSQALTCIAQLGLFIRQHSSGQ
EAYPTAHDSCITGVCTGALTAVAVGSASSVTALVPLALHTVAVAVRLGAR
AWEIGSCLADARRGANGRYASWTSAVGGISPQDLQDRISAYTAEQALASV
SVPYLSAAVGPGQSSVSAAPVILDAFLSTLLRPLTTTRLPITAPYHAPHL
FTAKDVQHVTDCLPPSEAWPTVRIPIISFSRDEAVSRGASFPAAMSEAVR
DCLIRPIALDRMAVSIANHARDLGKDSVLPSPIALSFSDKLGPQVNSHLP
TSKSIPSAIGAEQQPMAKSPIAILAASGRFPQSSSMDQFWDVLINGVDTH
ELVPPTRWNAATHVSEDPKAKNVSGTGFGCWLHEAGEFDAAYFNMSPREA
PQVDPAQRLALLTATEALEQAGVVPNRTSSTQKNRVGVWYGATSNDWMET
NSAQNVDTYFIPGGNRAFIPGRVNYFHKFSGPSYTIDTACSSSLAALHMA
CNALWRGEVDTAIVGGTNVLTNPDMTAGLDAGHFLSRSGNCKTFDDEADG
YCRGEAVVTLILKRLPDAQADKDPIQASILGIATNHSAEAASITRPHAGA
QQDLFQQVLTETGLTANDISVCEMHGTGTQAGDSGETTSVVETLAPLNRS
GSAVRTTPLYIGAVKSNVGHAESAAGVSSLAKILLMLKHSKIPPHVGIKT
KLNHRLPDLAARNTHIARSEVPWPRPKNGKRRVLLNNFSAAGGNTCLVLE
DAPEPEDSQEVDPREHHIVALSAKTPDSMVNNLTNMITWIDKHSGDSLAT
LPQLSYTTTARRVHHRHRAVATGTDLLQIRSSLQEQLDRRVSGERSIPHP
PNGPSFVLAFTGQGSAFAGMGVDLYKRFASFRSDIARYDQICEGMSLPSI
KAMFEDEKVFSTASPTLQQLTHVCFQMALYRLWKSLGVQAKAVVGHSLGE
YAALYAAGVLSQSDTLYLVGRRAQLMEKHLSQGTHAMLAVRAKEEAIVAA
IDGPPGEAYEFSCRNGEQRNVLGGTVAQIQAAKAALEAKKIRCQYLDTPM
AFHTGQVDPILPELLQVAAACSIQDPQIPVISPAYGKVIRSAKDFQPEYF
THHCRSSVNMVDALQSAVEEGLLDKNVIGLEIGPGPVVTQFVKEAVGTTM
QTFASINKDKDTWQLMTQALAKFYLAGASVEWSRYHEDFPGAQKVLELPA
YGWALKNYWLQYVNDWSLRKGDPAV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6fij Chain B Residue 1407 [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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PDB6fij The structural organization of substrate loading in iterative polyketide synthases.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		T196 A197 Q199
Binding residue
(residue number reindexed from 1)		T192 A193 Q195
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q926 S1010 L1011 R1035 H1116 H1166
Catalytic site (residue number reindexed from 1) Q913 S997 L998 R1022 H1103 H1153
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0004315 3-oxoacyl-[acyl-carrier-protein] synthase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006633 fatty acid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6fij, PDBe:6fij, PDBj:6fij
PDBsum6fij
PubMed29610486
UniProtQ6DQW3|CTB1_CERNC Non-reducing polyketide synthase CTB1 (Gene Name=CTB1)

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