Structure of PDB 8h41 Chain A Binding Site BS01

Receptor Information
>8h41 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 IDOPO
InChIInChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKeyIQUPABOKLQSFBK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)[N+](=O)[O-])O
CACTVS 3.385Oc1ccccc1[N+]([O-])=O
ACDLabs 12.01O=[N+]([O-])c1ccccc1O
FormulaC6 H5 N O3
NameO-NITROPHENOL
ChEMBLCHEMBL14205
DrugBank
ZINCZINC000034719541
PDB chain8h41 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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PDB8h41 A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Resolution1.78 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 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:8h41, PDBe:8h41, PDBj:8h41
PDBsum8h41
PubMed
UniProtP0CT50|SDC_CUTMO Salicylate decarboxylase (Gene Name=sdc)

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