Structure of PDB 5qr1 Chain A Binding Site BS02

Receptor Information
>5qr1 Chain A (length=429) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LYFQSMFSYDQFFRDKIMEKKQDHTYRVFKTVNRWADAYPFAQHFSKDVS
VWCSNDYLGMSRHPQVLQATQETLQRHGVGAGGTRNISGTSKFHVELEQE
LAELHQKDSALLFSSCFVANDSTLFTLAKILPGCEIYSDAGNHASMIQGI
RNSGAAKFVFRHNDPDHLKKLLEKSNPKIPKIVAFETVHSMDGAICPLEE
LCDVSHQYGALTFVDEVHAVGLYGSRGAGIGERDGIMHKIDIISGTLGKA
FGCVGGYIASTRDLVDMVRSYAAGFIFTTSLPPMVLSGALESVRLLKGEE
GQALRRAHQRNVKHMRQLLMDRGLPVIPCPSHIIPIRVGNAALNSKLCDL
LLSKHGIYVQAINYPTVPRGEELLRLAPSPHHSPQMMEDFVEKLLLAWTA
VGLPLQNFCRRPVHFELMSEWERSYFGNM
Ligand information
Ligand IDHR5
InChIInChI=1S/C11H17N3O/c1-8-10(7-13-14(8)2)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
InChIKeyWFWUJGIABNGBBR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1c(cnn1C)C(=O)NCC2CCC2
CACTVS 3.385Cn1ncc(C(=O)NCC2CCC2)c1C
FormulaC11 H17 N3 O
Name~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
ChEMBL
DrugBank
ZINCZINC000026143362
PDB chain5qr1 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5qr1 PanDDA analysis group deposition
Resolution1.44 Å
Binding residue
(original residue number in PDB)
I272 Y413
Binding residue
(residue number reindexed from 1)
I130 Y271
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.37: 5-aminolevulinate synthase.
Gene Ontology
Molecular Function
GO:0003870 5-aminolevulinate synthase activity
GO:0016740 transferase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process
GO:0033014 tetrapyrrole biosynthetic process

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Molecular Function

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Biological Process
External links
PDB RCSB:5qr1, PDBe:5qr1, PDBj:5qr1
PDBsum5qr1
PubMed
UniProtP22557|HEM0_HUMAN 5-aminolevulinate synthase, erythroid-specific, mitochondrial (Gene Name=ALAS2)

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