Structure of PDB 3t14 Chain A Binding Site BS02

Receptor Information
>3t14 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
YDYLMIATGPKLAFENVPGSDPHEGPVQSIATVDHAERAFAEYQALLREP
GPIVIGAMAGASCFGPAYEYAMIVASDLKKRGMRDKIPSFTFITSEPYIG
HLGIQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVDEKGET
IKEMVLPVKFGMMIPAFKGVPAVAGVEGLCNPGGFVLVDEHQRSKKYANI
FAAGIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQ
TMGTWNAVCFADMGDRGAAFIALPQLKPRKVDVFAYGRWVHLAKVAFEKY
FIRKMKMGVSEPFYEKVLFKM
Ligand information
Ligand IDS2H
InChIInChI=1S/H2S2/c1-2/h1-2H
InChIKeyBWGNESOTFCXPMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.2		SS
FormulaH2 S2
NameHydrogen disulfide
ChEMBL
DrugBank
ZINC
PDB chain3t14 Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t14 Structure-activity characterization of sulfide:quinone oxidoreductase variants.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		G162 C356
Binding residue
(residue number reindexed from 1)		G165 C359
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A128 C160 H198 C356 D359 K391
Catalytic site (residue number reindexed from 1) A131 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:3t14, PDBe:3t14, PDBj:3t14
PDBsum3t14
PubMed22542586
UniProtB7JBP8|SQRD_ACIF2 Sulfide-quinone reductase (Gene Name=AFE_1792)

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