Structure of PDB 6gmc Chain A Binding Site BS02

Receptor Information
>6gmc Chain A (length=360) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLY
PRMLRNVAETDLSTSVLGQRVSMPICVGATAMQRMAHVDGELATVRACQS
LGTGMMLSSWATSSIEEVAEAGPEALRWLQLYIYKDREVTKKLVRQAEKM
GYKAIFVTVDTPYLGNRLDDVRNRFKLPPQLRMKNFSTLSFSPEENFGDD
SGLAAYVAKAIDPSISWEDIKWLRRLTSLPIVAKGILRGDDAREAVKHGL
NGILVSNHGARQLDGVPATIDVLPEIVEAVEGKVEVFLDGGVRKGTDVLK
ALALGAKAVFVGRPIVWGLAFQGEKGVQDVLEILKEEFRLAMALSGCQNV
KVIDKTLVRK
Ligand information
Ligand IDC7C
InChIInChI=1S/C9H5ClN2O2S2/c10-5-1-3-6(4-2-5)15-9-7(8(13)14)11-12-16-9/h1-4H,(H,13,14)/p-1
InChIKeyNDYKFFAREALEPX-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04O=C([O-])c2nnsc2Sc1ccc(Cl)cc1
CACTVS 3.341[O-]C(=O)c1nnsc1Sc2ccc(Cl)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1Sc2c(nns2)C(=O)[O-])Cl
FormulaC9 H4 Cl N2 O2 S2
Name5-[(4-chlorophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate
ChEMBL
DrugBank
ZINC
PDB chain6gmc Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gmc Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
Resolution1.2 Å
Binding residue
(original residue number in PDB)		Y26 M82 W110 Y132 R167 F193 L205 Y208 H260 R263
Binding residue
(residue number reindexed from 1)		Y26 M82 W110 Y132 R167 F191 L203 Y206 H258 R261
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y132 D160 H260
Catalytic site (residue number reindexed from 1) Y132 D160 H258
Enzyme Commision number 1.1.3.15: (S)-2-hydroxy-acid oxidase.
1.2.3.5: glyoxylate oxidase.
Gene Ontology
Molecular Function
GO:0003973 (S)-2-hydroxy-acid oxidase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0047969 glyoxylate oxidase activity
Biological Process
GO:0001561 fatty acid alpha-oxidation
GO:0006545 glycine biosynthetic process
GO:0006979 response to oxidative stress
GO:0008652 amino acid biosynthetic process
GO:0046296 glycolate catabolic process
Cellular Component
GO:0005777 peroxisome
GO:0005782 peroxisomal matrix
GO:0005829 cytosol
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6gmc, PDBe:6gmc, PDBj:6gmc
PDBsum6gmc
PubMed
UniProtQ9UJM8|HAOX1_HUMAN 2-Hydroxyacid oxidase 1 (Gene Name=HAO1)

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