Structure of PDB 8dqq Chain A Binding Site BS02

Receptor Information

>8dqq Chain A (length=430) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ATLEITDIALVQPSHQPLSNDQTLSLSHLDNDNNLHVSFRYLRVYSSESP
SAVVSASLATALVHYYPLAGSLRRSASDNRFELLCSAGQSVPLVNATVNC
TLESVGYLDGPGFVERLVPDPTREEGMVNPCILQVTMFQCGGWVLGASIH
HAICDGLGASLFFNAMAELARGATKISIEPVWDRERLLGPREKPWVGAPV
RDFLSLDKDFDPYGQAIGDVKRDCFFVTDDSLDQLKAQLLEKSGLNFTTF
EALGAYIWRAKVRAAKTEEKENVKFVYSINIRRLMNPPLPKGYWGNGCVP
MYAQIKAGELIEQPIWKTAELIKQSKSNTSDEYVRSFIDFQELHHKDGIN
AGTGVTGFTDWRYLGHSTIDFGWGGPVTVLPLSNKLLGSMEPCFFLPYSG
FKVLVNLRESAMPEFKEAMDKFHKGEFALS

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 A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

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)	E322 S451
Binding residue (residue number reindexed from 1)	E312 S430
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

View graph for
Molecular Function

View graph for
Biological Process

External links

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

[Back to BioLiP]