Structure of PDB 3o2g Chain A Binding Site BS03

Receptor Information
>3o2g Chain A (length=386) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMACTIQKAEALDGAHLMQILWYDEEESLYPAVWLRDNCPCSDCYLDSAK
ARKLLVEALDVNIGIKGLIFDRKKVYITWPDEHYSEFQADWLKKRCFSKQ
ARAKLQRELFFPECQYWGSELQLPTLDFEDVLRYDEHAYKWLSTLKKVGI
VRLTGASDKPGEVSKLGKRMGFLYLTFYGHTWQVQDKIDANNVAYTTGKL
SFHTDYPALHHPPGVQLLHCIKQTVTGGDSEIVDGFNVCQKLKKNNPQAF
QILSSTFVDFTDIGVDYCDFSVQSKHKIIELDDKGQVVRINFNNATRDTI
FDVPVERVQPFYAALKEFVDLMNSKESKFTFKMNPGDVITFDNWRLLHGR
RSYEAGTEISRHLEGAYADWDVVMSRLRILRQRVEN
Ligand information
Ligand IDNM2
InChIInChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChIKeyJHPNVNIEXXLNTR-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.352C[N+](C)(C)CCCC(O)=O
OpenEye OEToolkits 1.6.1C[N+](C)(C)CCCC(=O)O
ACDLabs 10.04O=C(O)CCC[N+](C)(C)C
FormulaC7 H16 N O2
Name3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
ChEMBL
DrugBank
ZINCZINC000000395560
PDB chain3o2g Chain A Residue 391 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3o2g Structural and mechanistic studies on gamma-butyrobetaine hydroxylase.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		Y177 W181 N191 Y194 D204 Y205 N292 Y366
Binding residue
(residue number reindexed from 1)		Y178 W182 N192 Y195 D205 Y206 N293 Y367
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.1: gamma-butyrobetaine dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0008336 gamma-butyrobetaine dioxygenase activity
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0045329 carnitine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3o2g, PDBe:3o2g, PDBj:3o2g
PDBsum3o2g
PubMed21168767
UniProtO75936|BODG_HUMAN Gamma-butyrobetaine dioxygenase (Gene Name=BBOX1)

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