Structure of PDB 5qqy Chain A Binding Site BS02

Receptor Information
>5qqy 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 IDNUG
InChIInChI=1S/C10H17NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,10,12H,1-2,4-8H2
InChIKeyPFVAURGZHWBFTG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N2(CC1=CCSC1)CCC(CC2)O
OpenEye OEToolkits 2.0.6C1CN(CCC1O)CC2=CCSC2
CACTVS 3.385OC1CCN(CC1)CC2=CCSC2
FormulaC10 H17 N O S
Name1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol
ChEMBL
DrugBank
ZINC
PDB chain5qqy Chain B Residue 602 [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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PDB5qqy PanDDA analysis group deposition
Resolution1.49 Å
Binding residue
(original residue number in PDB)		K271 Y413
Binding residue
(residue number reindexed from 1)		K129 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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5qqy, PDBe:5qqy, PDBj:5qqy
PDBsum5qqy
PubMed
UniProtP22557|HEM0_HUMAN 5-aminolevulinate synthase, erythroid-specific, mitochondrial (Gene Name=ALAS2)

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