Structure of PDB 3t2z Chain A Binding Site BS02

Receptor Information
>3t2z Chain A (length=427) Species: 243159 (Acidithiobacillus ferrooxidans ATCC 23270) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAHVVILGAGTGGMPAAYEMKEALGSGHEVTLISANDYFQFVPSNPWVGV
GWKERDDIAFPIRHYVERKGIHFIAQSAEQIDAEAQNITLADGNTVHYDY
LMIATGPKLAFENVPGSDPHEGPVQSICTVDHAERAFAEYQALLREPGPI
VIGAMAGASCFGPAYEYAMIVASDLKKRGMRDKIPSFTFITSEPYIGHLG
IQGVGDSKGILTKGLKEEGIEAYTNCKVTKVEDNKMYVTQVDEKGETIKE
MVLPVKFGMMIPAFKGVPAVAGVEGLCNPGGFVLVDEHQRSKKYANIFAA
GIAIAIPPVETTPVPTGAPKTGYMIESMVSAAVHNIKADLEGRKGEQTMG
TWNAVCFADMGDRGAAFIALPQLKPRKVDVFAYGRWVHLAKVAFEKYFIR
KMKMGVSEPFYEKVLFKMMGITRLKEE
Ligand information
Ligand IDBU2
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyPUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCC(O)C
OpenEye OEToolkits 1.5.0C[C@@H](CCO)O
CACTVS 3.341C[CH](O)CCO
CACTVS 3.341C[C@H](O)CCO
OpenEye OEToolkits 1.5.0CC(CCO)O
FormulaC4 H10 O2
Name1,3-BUTANEDIOL
ChEMBLCHEMBL1231501
DrugBankDB02202
ZINCZINC000001867144
PDB chain3t2z Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t2z Crystal structure of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans: insights into sulfidotrophic respiration and detoxification.
Resolution2.2994 Å
Binding residue
(original residue number in PDB)		P43 F357 K391 F394 M418
Binding residue
(residue number reindexed from 1)		P43 F357 K391 F394 M418
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C128 C160 H198 C356 D359 K391
Catalytic site (residue number reindexed from 1) C128 C160 H198 C356 D359 K391
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:3t2z, PDBe:3t2z, PDBj:3t2z
PDBsum3t2z
PubMed20303979
UniProtB7JBP8|SQRD_ACIF2 Sulfide-quinone reductase (Gene Name=AFE_1792)

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