Structure of PDB 7r4n Chain A Binding Site BS01

Receptor Information
>7r4n Chain A (length=352) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLYP
RMLRNVAETDLSTSVLGQRVSMPICVGATAMQRMAHVDGELATVRACQSL
GTGMMLSSWATSSIEEVAEAGPEALRWLQLYIYKDREVTKKLVRQAEKMG
YKAIFVTVDTPYLGNRLDDVRNRFKLPPQLRMKNFSTLSFSDSGLAAYVA
KAIDPSISWEDIKWLRRLTSLPIVAKGILRGDDAREAVKHGLNGILVSNH
GARQLDGVPATIDVLPEIVEAVEGKVEVFLDGGVRKGTDVLKALALGAKA
VFVGRPIVWGLAFQGEKGVQDVLEILKEEFRLAMALSGCQNVKVIDKTLV
RK
Ligand information
Ligand ID7RI
InChIInChI=1S/C9H8BrN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyLZKFBFNVDKRHMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC(=O)c1c2cc(ccc2[nH]n1)Br
CACTVS 3.385CNC(=O)c1n[nH]c2ccc(Br)cc12
FormulaC9 H8 Br N3 O
Name5-bromanyl-N-methyl-1H-indazole-3-carboxamide;
1H-Indazole-3-carboxamide, 5-bromo-N-methyl-
ChEMBL
DrugBank
ZINC
PDB chain7r4n Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r4n Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y26 A81 M82 W110 Y132 R167 M183 H260 R263
Binding residue
(residue number reindexed from 1)		Y25 A80 M81 W109 Y131 R166 M182 H250 R253
Annotation score1
Enzymatic activity
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:7r4n, PDBe:7r4n, PDBj:7r4n
PDBsum7r4n
PubMed
UniProtQ9UJM8|HAOX1_HUMAN 2-Hydroxyacid oxidase 1 (Gene Name=HAO1)

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