Structure of PDB 8dhk Chain A Binding Site BS02

Receptor Information
>8dhk Chain A (length=406) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNHYEVLVLGGGSGGITMAARMKRKVGAENVAIVEPSERHFYQPIWTLVG
AGAKQLSSSGRPTASVIPSGVEWIKARVTELNPDKNCIHTDDDEKISYRY
LIIALGIQLDYEKIKGLPEGFAHPKIGSNYSVKTVEKTWKALQDFKEGNA
IFTFPNTPVKCAGAPQEIMYLSEAYFRKTGKRSKANIIFNTSLGAIFGVK
KYADALQEIIQERNLTVNYKKNLIEVRADKQEAVFENLDKPGETQVISYE
MLHVTPPMSPPDVLKTSPVADAAGWVDVDKETLQHRRYPNVFGIGDCTNL
PTSKTAAAVAAQSGILDRTISVIMKNQTPTKKYDGYTSCPLVTGYNRVIL
AEFDYKAEPLETFPFDQSKERLSMYLMKADLMPFLYWNMMLRGYWGGPAF
LRKLFH
Ligand information
Ligand IDMHA
InChIInChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKeyQZTKDVCDBIDYMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)CN(CC(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C(C(=O)N)N(CC(=O)O)CC(=O)O
ACDLabs 10.04O=C(O)CN(CC(=O)N)CC(=O)O
FormulaC6 H10 N2 O5
Name(CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID;
N-(2-ACETAMIDO)IMINODIACETIC ACID
ChEMBL
DrugBankDB02810
ZINCZINC000002545127
PDB chain8dhk Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dhk Sulfide oxidation in human sulfide quinone oxidoreductase is enthalpically driven: Contributions of the Lys-207 general base
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Q247 L255 V257
Binding residue
(residue number reindexed from 1)		Q207 L215 V217
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.5.8: eukaryotic sulfide quinone oxidoreductase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0048038 quinone binding
GO:0070224 sulfide:quinone oxidoreductase activity
GO:0071949 FAD binding
GO:0106436 glutathione-dependent sulfide quinone oxidoreductase activity
Biological Process
GO:0070221 sulfide oxidation, using sulfide:quinone oxidoreductase
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8dhk, PDBe:8dhk, PDBj:8dhk
PDBsum8dhk
PubMed
UniProtQ9Y6N5|SQOR_HUMAN Sulfide:quinone oxidoreductase, mitochondrial (Gene Name=SQOR)

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