Structure of PDB 6uff Chain C Binding Site BS02

Receptor Information

>6uff Chain C (length=362) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

STNINLFSSYQLGELELPNRIVMAPLTRQRAGEGNVPHQLNAIYYGQRAS
AGLIIAEATQVTPQGQGYPHTPGIHSPEQVAGWKLVTDTVHQQGGRIFLQ
LWHVGRISHPDLQPDGGLPVAPSAIAPKGEVLTYEGKKPYVTPRALDTSE
IPAIVEQYRQGAANALAAGFDGVEIHAANGYLIDQFLRDGTNQRTDEYGG
AIENRARLLLEVTEAITSVWDSQRVGVRLSPSGTFNDIRDSHPLETFGYV
AQALNRFNLSYLHIFEAIDADIRHGGTVVPTSHLRDRFTGTLIVNGGYTR
EKGDTVIANKAADLVAFGTLFISNPDLPERLEVNAPLNQADPTTFYGGGE
KGYTDYPFLAVA

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

6uff Chain C 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	6uff Photoenzymatic Hydrogenation of Heteroaromatic Olefins Using 'Ene'-Reductases with Photoredox Catalysts.
Resolution	2.007 Å
Binding residue (original residue number in PDB)	E52 E54
Binding residue (residue number reindexed from 1)	E14 E16
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	T65 H214 N217 Y219 R266 N274
Catalytic site (residue number reindexed from 1)	T27 H176 N179 Y181 R228 N236
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0010181	FMN binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

	Cellular Component
GO:0005829	cytosol

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Molecular Function

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Cellular Component

External links

PDB	RCSB:6uff, PDBe:6uff, PDBj:6uff
PDBsum	6uff
PubMed	32181943
UniProt	Q8YVV8

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