Structure of PDB 6itd Chain A Binding Site BS01

Receptor Information
>6itd Chain A (length=328) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLAPLRVGILGFGGLGQAAARLLAPKQEMKLVAVADRHGYLYDADGIDV
DNAVQAYTQQGSVGKAKKGQMSEQSIEDLIGEGEVDGYFLALPNLPNTFM
ADVTRQFIASGWQGVLVDALARTSAVEQLITLREDLAQAGITYMTGCGAT
PGLLTAAAAIASQSFQEIHQVKITFGVGIANWEAYRATIREDIAHMPGYN
VDKAQAMTDAEVAALLDQTNGILALEDMEHADDIMLELAGICHRDQVTVG
GVVDTRNPKKPLSTHVKITGRTFEGKISSHTFTLGDETSMAANVCGPAFG
YLKAGYGLHRQGLKGLFTAADVMPKFVR
Ligand information
Ligand IDIKT
InChIInChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKeyNHQUUILSXUJSSP-IUCAKERBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCC(C(N)C)CC(=O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N
CACTVS 3.341C[C@H](N)[C@@H](CCCCCC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(C(CCCCCC(=O)O)CC(=O)O)N
CACTVS 3.341C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
FormulaC11 H21 N O4
Name3-(1-AMINOETHYL)NONANEDIOIC ACID
ChEMBL
DrugBankDB02941
ZINCZINC000003870892
PDB chain6itd Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6itd A suicide enzyme catalyzes multiple reactions for biotin biosynthesis in cyanobacteria.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A152 F178 D195 H233 K263 T267 S292 M293 N296
Binding residue
(residue number reindexed from 1)		A149 F175 D192 H230 K260 T264 S289 M290 N293
Annotation score2
Enzymatic activity
Enzyme Commision number 2.6.1.121: 8-amino-7-oxononanoate carboxylating dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008483 transaminase activity
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009102 biotin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6itd, PDBe:6itd, PDBj:6itd
PDBsum6itd
PubMed32042199
UniProtQ55650|BIOU_SYNY3 (S)-8-amino-7-oxononanoate synthase BioU (Gene Name=bioU)

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