Structure of PDB 7r4p Chain A Binding Site BS02

Receptor Information
>7r4p Chain A (length=337) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLYPR
MLRNVAETDLSTSVLGQRVSMPICVGATAMQRMAHVDGELATVRACQSLG
TGMMLSSWATSSIEEVAEAGPEALRWLQLYIYKDREVTKKLVRQAEKMGY
KAIFVTVDTPYLGNRLDDVRNRFMKNFSGLAAYVAKAIDPSISWEDIKWL
RRLTSLPIVAKGILRGDDAREAVKHGLNGILVSNHGARQLDGVPATIDVL
PEIVEAVEGKVEVFLDGGVRKGTDVLKALALGAKAVFVGRPIVWGLAFQG
EKGVQDVLEILKEEFRLAMALSGCQNVKVIDKTLVRK
Ligand information
Ligand IDI2Z
InChIInChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1
InChIKeyROGMXQYZAWKCLY-ZJUUUORDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CNC1C(N(C(=O)NC1=O)Cc2ccccc2)N
OpenEye OEToolkits 2.0.7CN[C@@H]1C(N(C(=O)NC1=O)Cc2ccccc2)N
CACTVS 3.385CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O
CACTVS 3.385CN[C@@H]1[C@@H](N)N(Cc2ccccc2)C(=O)NC1=O
FormulaC12 H16 N4 O2
Name6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
ChEMBL
DrugBank
ZINC
PDB chain7r4p Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7r4p Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
Resolution1.37 Å
Binding residue
(original residue number in PDB)		Y26 A81 M82 W110 Y132 R167 L205 H260 R263
Binding residue
(residue number reindexed from 1)		Y24 A79 M80 W108 Y130 R165 L180 H235 R238
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:7r4p, PDBe:7r4p, PDBj:7r4p
PDBsum7r4p
PubMed
UniProtQ9UJM8|HAOX1_HUMAN 2-Hydroxyacid oxidase 1 (Gene Name=HAO1)

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