Structure of PDB 1x8k Chain A Binding Site BS01

Receptor Information

>1x8k Chain A (length=344) Species: 7108 (Spodoptera frugiperda)

DLPFPYEFRELNPEEDKLVKANLGAFPTTYVKLGPKGYMVYRPYLKDAAN
IYNMPLRPTDVFVASYQRSGTTMTQELVWLIENDLNFEAAKTYMSLRYIY
LDGFMIYDPEKQEEYNDILPNPENLDMERYLGLLEYSSRPGSSLLAAVPP
TEKRFVKTHLPLSLMPPNMLDTVKMVYLARDPRDVAVSSFHHARLLYLLN
KQSNFKDFWEMFHRGLYTLTPYFEHVKEAWAKRHDPNMLFLFYEDYLKDL
PGSIARIADFLGKKLSEEQIQRLSEHLNFEKFKNNGAVNMEDYREIGILA
DGEHFIRKGKAGCWRDYFDEEMTKQAEKWIKDNLKDTDLRYPNM

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 1x8k Chain A Residue 1104

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1x8k The structures of the unique sulfotransferase retinol dehydratase with product and inhibitors provide insight into enzyme mechanism and inhibition.
• Resolution: 2.75 Å
• Binding residue (original residue number in PDB): E118 N121 D122
• Binding residue (residue number reindexed from 1): E113 N116 D117
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): R73 H164 S193
• Catalytic site (residue number reindexed from 1): R68 H159 S188

Gene Ontology

Molecular Function

• GO:0008146 sulfotransferase activity
• GO:0016740 transferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0051923 sulfation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1x8k, PDBe:1x8k, PDBj:1x8k
• PDBsum: 1x8k
• PubMed: 15608121
• UniProt: Q26490