Structure of PDB 5w4c Chain A Binding Site BS02

Receptor Information

>5w4c Chain A (length=356) Species: 235443 (Cryptococcus neoformans var. grubii H99)

FGVREPKRTGEVSKKMHSKVVIIGSGPGGHTAAIYLARANLEPVLYEGML
ANGFAPGGQLTTTTDVENFPGFPEGVTGTEMMDKFRAQSERFGTKIITET
VARVDLSVRPFKYWTEGEEEEHEFMTADTIILATGASAKRLFLPGEETYW
QSGISACAVCDGAVPIFRQKPLAVIGGGDSAAEEATYLTKYGSHVYVLVR
RDELRASKIMAKRLTSHPKVTVLWNTVATEAKGDGEVLTSLTIKNTKTGE
TGDLPVNGLFYAIGHEPATSLVKSQVELDSDGYIKTVPGTSQTSVHGVFA
AGDVQDKKYRQAITSAGSGCIAALEAERLISEEEADDESLQTEDVHVPAE
HYLGTD

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: 5w4c Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5w4c Crystal structure of thioredoxin reductase from Cryptococcus neoformans in complex with FAD (FO conformation)
• Resolution: 2.255 Å
• Binding residue (original residue number in PDB): E112 E129 E131
• Binding residue (residue number reindexed from 1): E99 E116 E118
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.8.1.9: thioredoxin-disulfide reductase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004791 thioredoxin-disulfide reductase (NADPH) activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0019430 removal of superoxide radicals
• GO:0045454 cell redox homeostasis

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:5w4c, PDBe:5w4c, PDBj:5w4c
• PDBsum: 5w4c
• UniProt: J9VRX9