Structure of PDB 8h41 Chain B Binding Site BS02

Receptor Information

>8h41 Chain B (length=357) Species: 1895941 (Cutaneotrichosporon moniliiforme)

HHHHHGSMRGKVSLEEAFELPKFAAQTKEKAELYIAPNNRDRYFEEILNP
CGNRLELSNKHGIGYTIYSIYSPGPQGWTERAECEEYARECNDYISGEIA
NHKDRMGAFAALSMHDPKQASEELTRCVKELGFLGALVNDVQHAGPEGET
HIFYDQPEWDIFWQTCVDLDVPFYLHPEPPFGSYLRNQYEGRKYLIGPPV
SFANGVSLHVLGMIVNGVFDRFPKLKVILGHLGEHIPGDFWRIEHWFEHC
SRPLAKSRGDVFAEKPLLHYFRNNIWLTTSGNFSTETLKFCVEHVGAERI
LFSVDSPYEHIDVGCGWYDDNAKAIMEAVGGEKAYKDIGRDNAKKLFKLG
KFYDSEA

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8h41 Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8h41 A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): E8 H169 D298
• Binding residue (residue number reindexed from 1): E15 H176 D305
• 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

External links

• PDB: RCSB:8h41, PDBe:8h41, PDBj:8h41
• PDBsum: 8h41
• UniProt: P0CT50|SDC_CUTMO Salicylate decarboxylase (Gene Name=sdc)