Structure of PDB 5qr1 Chain A Binding Site BS02
Receptor Information
>5qr1 Chain A (length=429) Species:
9606
(Homo sapiens) [
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LYFQSMFSYDQFFRDKIMEKKQDHTYRVFKTVNRWADAYPFAQHFSKDVS
VWCSNDYLGMSRHPQVLQATQETLQRHGVGAGGTRNISGTSKFHVELEQE
LAELHQKDSALLFSSCFVANDSTLFTLAKILPGCEIYSDAGNHASMIQGI
RNSGAAKFVFRHNDPDHLKKLLEKSNPKIPKIVAFETVHSMDGAICPLEE
LCDVSHQYGALTFVDEVHAVGLYGSRGAGIGERDGIMHKIDIISGTLGKA
FGCVGGYIASTRDLVDMVRSYAAGFIFTTSLPPMVLSGALESVRLLKGEE
GQALRRAHQRNVKHMRQLLMDRGLPVIPCPSHIIPIRVGNAALNSKLCDL
LLSKHGIYVQAINYPTVPRGEELLRLAPSPHHSPQMMEDFVEKLLLAWTA
VGLPLQNFCRRPVHFELMSEWERSYFGNM
Ligand information
Ligand ID
HR5
InChI
InChI=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)
InChIKey
WFWUJGIABNGBBR-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.6
Cc1c(cnn1C)C(=O)NCC2CCC2
CACTVS 3.385
Cn1ncc(C(=O)NCC2CCC2)c1C
Formula
C11 H17 N3 O
Name
~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
ChEMBL
DrugBank
ZINC
ZINC000026143362
PDB chain
5qr1 Chain A Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
5qr1
PanDDA analysis group deposition
Resolution
1.44 Å
Binding residue
(original residue number in PDB)
I272 Y413
Binding residue
(residue number reindexed from 1)
I130 Y271
Annotation score
1
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
PDBsum
5qr1
PubMed
UniProt
P22557
|HEM0_HUMAN 5-aminolevulinate synthase, erythroid-specific, mitochondrial (Gene Name=ALAS2)
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