Structure of PDB 3t0k Chain A Binding Site BS03

Receptor Information
>3t0k Chain A (length=421) Species: 243159 (Acidithiobacillus ferrooxidans ATCC 23270) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRGSAHVVILGAGTGGMPAAYEMKEALGSGHEVTLISANDYFQFVPSNPW
VGVGWKERDDIAFPIRHYVERKGIHFIAQSAEQIDAEAQNITLADGNTVH
YDYLMIATGPKLAFENVPGSDPHEGPVQSICTVDHAERAFAEYQALLREP
GPIVIGAMAGASCFGPAYEYAMIVASDLKKRGMRDKIPSFTFITSEPYIG
HLGIQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVDEKGET
IKEMVLPVKFGMMIPAFKGVPAVAGVEGLCNPGGFVLVDEHQRSKKYANI
FAAGIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQ
TMGTWNAVCFADMGDRGAAFIALPQLKPRKVDVFAYGRWVHLAKVAFEKY
FIRKMKMGVSEPFYEKVLFKM
Ligand information
Ligand IDS3H
InChIInChI=1S/H2S3/c1-3-2/h1-2H
InChIKeyKBMBVTRWEAAZEY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		SSS
FormulaH2 S3
Nametrisulfane
ChEMBLCHEMBL1235793
DrugBank
ZINC
PDB chain3t0k Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3t0k Structure-activity characterization of sulfide:quinone oxidoreductase variants.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C160 C356
Binding residue
(residue number reindexed from 1)		C163 C359
Annotation score1
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3t0k, PDBe:3t0k, PDBj:3t0k
PDBsum3t0k
PubMed22542586
UniProtB7JBP8|SQRD_ACIF2 Sulfide-quinone reductase (Gene Name=AFE_1792)

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