Structure of PDB 6jqw Chain A Binding Site BS01

Receptor Information

>6jqw Chain A (length=352) Species: 1895941 (Cutaneotrichosporon moniliiforme) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSMRGKVSLEEAFELPKFAAQTKEKAELYIAPNNRDRYFEEILNPCGNRL
ELSNKHGIGYTIYSIYSPGPQGWTERAECEEYARECNDYISGEIANHKDR
MGAFAALSMHDPKQASEELTRCVKELGFLGALVNDVQHAGPEGETHIFYD
QPEWDIFWQTCVDLDVPFYLHPEPPFGSYLRNQYEGRKYLIGPPVSFANG
VSLHVLGMIVNGVFDRFPKLKVILGHLGEHIPGDFWRIEHWFEHCSRPLA
KSRGDVFAEKPLLHYFRNNIWLTTSGNFSTETLKFCVEHVGAERILFSVD
SPYEHIDVGCGWYDDNAKAIMEAVGGEKAYKDIGRDNAKKLFKLGKFYDS
EA

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

6jqw 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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Structure summary

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PDB	6jqw Structural Basis of Salicylic Acid Decarboxylase Reveals a Unique Substrate Recognition Mode and Access Channel.
Resolution	1.437 Å
Binding residue (original residue number in PDB)	E8 H169 D298
Binding residue (residue number reindexed from 1)	E10 H171 D300
Annotation score	1

Enzymatic activity

Enzyme Commision number

4.1.1.91: salicylate decarboxylase.

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016831	carboxy-lyase activity

	Biological Process
GO:0019748	secondary metabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Cellular Component

External links

PDB	RCSB:6jqw, PDBe:6jqw, PDBj:6jqw
PDBsum	6jqw
PubMed	34553918
UniProt	P0CT50\|SDC_CUTMO Salicylate decarboxylase (Gene Name=sdc)

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