Structure of PDB 6jqx Chain B Binding Site BS01

Receptor Information
>6jqx Chain B (length=351) 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
E
Ligand information
Ligand IDSAL
InChIInChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyYGSDEFSMJLZEOE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccccc1O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)O
CACTVS 3.341OC(=O)c1ccccc1O
FormulaC7 H6 O3
Name2-HYDROXYBENZOIC ACID;
SALICYLIC ACID
ChEMBLCHEMBL424
DrugBankDB00936
ZINCZINC000000001554
PDB chain6jqx 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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PDB6jqx Structural Basis of Salicylic Acid Decarboxylase Reveals a Unique Substrate Recognition Mode and Access Channel.
Resolution1.672 Å
Binding residue
(original residue number in PDB)		Y27 H169 P191 F195 H224 D298 Y301
Binding residue
(residue number reindexed from 1)		Y29 H171 P193 F197 H226 D300 Y303
Annotation score2
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:6jqx, PDBe:6jqx, PDBj:6jqx
PDBsum6jqx
PubMed34553918
UniProtP0CT50|SDC_CUTMO Salicylate decarboxylase (Gene Name=sdc)

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