Structure of PDB 8dqq Chain B Binding Site BS01

Receptor Information

>8dqq Chain B (length=432) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATLEITDIALVQPSHQPLSNDQTLSLSHLDNDNNLHVSFRYLRVYSSESP
SAVVSASLATALVHYYPLAGSLRRSASDNRFELLCSAGQSVPLVNATVNC
TLESVGYLDGPDPGFVERLVPDPTREEGMVNPCILQVTMFQCGGWVLGAS
IHHAICDGLGASLFFNAMAELARGATKISIEPVWDRERLLGPREKPWVGA
PVRDFLSLDKDFDPYGQAIGDVKRDCFFVTDDSLDQLKAQLLEKSGLNFT
TFEALGAYIWRAKVRAAKTEEKENVKFVYSINIRRLMNPPLPKGYWGNGC
VPMYAQIKAGELIEQPIWKTAELIKQSKSNTSDEYVRSFIDFQELHHKDG
INAGTGVTGFTDWRYLGHSTIDFGWGGPVTVLPLSNKLLGSMEPCFFLPD
SGFKVLVNLRESAMPEFKEAMDKFHKGEFALS

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

8dqq Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8dqq Emergence of a proton exchange-based isomerization and lactonization mechanism in the plant coumarin synthase COSY.
Resolution	2.33 Å
Binding residue (original residue number in PDB)	R211 L214
Binding residue (residue number reindexed from 1)	R203 L206
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016740	transferase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009805	coumarin biosynthetic process
GO:0042617	paclitaxel biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:8dqq, PDBe:8dqq, PDBj:8dqq
PDBsum	8dqq
PubMed	36737607
UniProt	Q8LF28

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