Structure of PDB 6jqw Chain B Binding Site BS01

Receptor Information
>6jqw Chain B (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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6jqw Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jqw Structural Basis of Salicylic Acid Decarboxylase Reveals a Unique Substrate Recognition Mode and Access Channel.
Resolution1.437 Å
Binding residue
(original residue number in PDB)		E8 H169 D298
Binding residue
(residue number reindexed from 1)		E10 H171 D300
Annotation score1
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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Biological Process
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Cellular Component
External links
PDB RCSB:6jqw, PDBe:6jqw, PDBj:6jqw
PDBsum6jqw
PubMed34553918
UniProtP0CT50|SDC_CUTMO Salicylate decarboxylase (Gene Name=sdc)

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