Structure of PDB 5qqx Chain A Binding Site BS02

Receptor Information
>5qqx 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 IDNUA
InChIInChI=1S/C10H15N3O/c1-2-13-7-9(6-11-13)12-10(14)8-4-3-5-8/h6-8H,2-5H2,1H3,(H,12,14)
InChIKeyUVTFDTBDFQZRHD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1cc(cn1)NC(=O)C2CCC2
ACDLabs 12.01n1(CC)ncc(c1)NC(=O)C2CCC2
CACTVS 3.385CCn1cc(NC(=O)C2CCC2)cn1
FormulaC10 H15 N3 O
NameN-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
ChEMBL
DrugBank
ZINCZINC000058393661
PDB chain5qqx Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5qqx PanDDA analysis group deposition
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S573 Y574
Binding residue
(residue number reindexed from 1)		S424 Y425
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5qqx, PDBe:5qqx, PDBj:5qqx
PDBsum5qqx
PubMed
UniProtP22557|HEM0_HUMAN 5-aminolevulinate synthase, erythroid-specific, mitochondrial (Gene Name=ALAS2)

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