Structure of PDB 5ilg Chain A Binding Site BS01

Receptor Information

>5ilg Chain A (length=265) Species: 7227 (Drosophila melanogaster)

HHVGTSFRGKNAVVTGGAGGIGLQVSKQLLAAGAAKVAIIDLQDNLEEFV
KLRAAHPTQSVMIIKMDVANKKGVEATYEEIAKTFGNIDIVVNVAGIFND
KDVQRTLLVNLGGIINSTLSALPYMGKDNGGKGGIVVNMSSVVGLDPMFI
IPVYGATKAGIINFTRCLANEKYYQRSGIKFVTVCPGATMTDMFTNFTEK
IIFPETSDETYRILDRLNKQSAADVSRCILNVLEKDKNGAVYVIEGKRVY
PLEIKPQWTGKEQAL

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: 5ilg Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ilg Structural Insights into the Drosophila melanogaster Retinol Dehydrogenase, a Member of the Short-Chain Dehydrogenase/Reductase Family.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): G92 M189
• Binding residue (residue number reindexed from 1): G96 M193
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N106 S136 S137 Y150 K154
• Catalytic site (residue number reindexed from 1): N110 S140 S141 Y154 K158
• Enzyme Commision number: 1.1.1.-
  1.1.1.105: all-trans-retinol dehydrogenase (NAD(+)).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004745 all-trans-retinol dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor

Biological Process

• GO:0042572 retinol metabolic process
• GO:0042574 retinal metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5ilg, PDBe:5ilg, PDBj:5ilg
• PDBsum: 5ilg
• PubMed: 27809489
• UniProt: Q9VV42