Structure of PDB 3h8i Chain A Binding Site BS02

Receptor Information
>3h8i Chain A (length=356) Species: 2283 (Acidianus ambivalens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKVLVLGGRFGALTAAYTLKRLVGSKADVKVINKSRFSYFRPALPHVAIG
VRDVDELKVDLSEALPEKGIQFQEGTVEKIDAKSSMVYYTKPDGSMAEEE
YDYVIVGIGAHLATELVKGWDKYGYSVCEPEFATKLREKLESFQGGNIAI
GSGPFYQGHNPKPKVPENFVPNADSACEGPVFEMSLMLHGYFKKKGMLDK
VHVTVFSPGEYLSDLSPNSRKAVASIYNQLGIKLVHNFKIKEIREHEIVD
EKGNTIPADITILLPPYTGNPALKNSTPDLVDDGGFIPTDLNMVSIKYDN
VYAVGDANSMTVPKLGYLAVMTGRIAAQHLANRLGVPTKVDKYYPTIVCV
ADNPYE
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 chain3h8i Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h8i Structural and functional insights into sulfide:quinone oxidoreductase.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		C178 L316 C350
Binding residue
(residue number reindexed from 1)		C177 L315 C349
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C129 C178 D215 C350 D353
Catalytic site (residue number reindexed from 1) C128 C177 D214 C349 D352
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:3h8i, PDBe:3h8i, PDBj:3h8i
PDBsum3h8i
PubMed19438211
UniProtQ7ZAG8|SQRD_ACIAM Sulfide-quinone reductase (Gene Name=sqr)

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