Structure of PDB 3sz0 Chain A Binding Site BS03

Receptor Information

>3sz0 Chain A (length=421) Species: 243159 (Acidithiobacillus ferrooxidans ATCC 23270)

MRGSAHVVILGAGTGGMPAAYEMKEALGSGHEVTLISANDYFQFVPSNPW
VGVGWKERDDIAFPIRHYVERKGIHFIAQSAEQIDAEAQNITLADGNTVH
YDYLMIATGPKLAFENVPGSDPHEGPVQSICTVDHAERAFAEYQALLREP
GPIVIGAMAGASCFGPAYEYAMIVASDLKKRGMRDKIPSFTFITSEPYIG
HLGIQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVDEKGET
IKEMVLPVKFGMMIPAFKGVPAVAGVEGLCNPGGFVLVDEHQRSKKYANI
FAAGIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQ
TMGTWNAVCFADMGDRGAAFIALPQLKPRKVDVFAYGRWVHLAKVAFEKY
FIRKMKMGVSEPFYEKVLFKM

Ligand information

• Ligand ID: SE
• InChI: InChI=1S/H2Se/h1H2
• InChIKey: SPVXKVOXSXTJOY-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [SeH2]
  CACTVS 3.341: [Se]
• Formula: Se
• Name: SELENIUM ATOM
• ChEMBL: CHEMBL1235891
• PDB chain: 3sz0 Chain A Residue 504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3sz0 Structure-activity characterization of sulfide:quinone oxidoreductase variants.
• Resolution: 2.1501 Å
• Binding residue (original residue number in PDB): T321 C356
• Binding residue (residue number reindexed from 1): T324 C359
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C128 C160 H198 C356 D359 K391
• Catalytic site (residue number reindexed from 1): C131 C163 H201 C359 D362 K394
• Enzyme Commision number: 1.8.5.4: bacterial sulfide:quinone reductase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0048038 quinone binding
• GO:0070224 sulfide:quinone oxidoreductase activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3sz0, PDBe:3sz0, PDBj:3sz0
• PDBsum: 3sz0
• PubMed: 22542586
• UniProt: B7JBP8|SQRD_ACIF2 Sulfide-quinone reductase (Gene Name=AFE_1792)