Structure of PDB 6ie2 Chain A Binding Site BS01

Receptor Information
>6ie2 Chain A (length=321) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEDAFRKLFRFYRQSRPGTADLEGVIDFSAGAQKVIKSQLNVSSVSEQNA
YRAGLQPVSKWQAYGLKGYPGFIFIPNPFLPGYQWHWVKQCLKLYSQKPN
VCNLDKHMSKEETQDLWEQSKEFLRYKERSLLEKLRWVTVGYHYNWDSKK
YSADHYTPFPSDLGFLSEQVAAACGFEDFRAEAGILNYYRLDSTLGIHVD
RSELDHSKPLLSFSFGQSAIFLLGGLQRDEAPTAMFMHSGDIMIMSGFSR
LLNHAVPRVLPNPEGEGLPHCLEAPLPAVLPRDSMVEPCSMEDWQVCASY
LKTARVNMTVRQVLATDQNFP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6ie2 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ie2 Structural basis of nucleic acid recognition and 6mA demethylation by human ALKBH1.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H231 D233 H287
Binding residue
(residue number reindexed from 1)		H198 D200 H254
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.-
1.14.11.33: DNA oxidative demethylase.
1.14.11.51: DNA N(6)-methyladenine demethylase.
4.2.99.18: DNA-(apurinic or apyrimidinic site) lyase.
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0008198 ferrous iron binding
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0016829 lyase activity
GO:0035515 oxidative RNA demethylase activity
GO:0035516 broad specificity oxidative DNA demethylase activity
GO:0042056 chemoattractant activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:0140078 class I DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0141131 DNA N6-methyladenine demethylase activity
GO:1990984 tRNA demethylase activity
Biological Process
GO:0001701 in utero embryonic development
GO:0001764 neuron migration
GO:0001890 placenta development
GO:0002101 tRNA wobble cytosine modification
GO:0006281 DNA repair
GO:0006417 regulation of translation
GO:0006446 regulation of translational initiation
GO:0006448 regulation of translational elongation
GO:0010468 regulation of gene expression
GO:0030154 cell differentiation
GO:0031175 neuron projection development
GO:0035513 oxidative RNA demethylation
GO:0042245 RNA repair
GO:0043524 negative regulation of neuron apoptotic process
GO:0048589 developmental growth
GO:0050918 positive chemotaxis
GO:0070129 regulation of mitochondrial translation
GO:0141137 positive regulation of gene expression, epigenetic
GO:1990983 regulation of translational initiation by tRNA modification
Cellular Component
GO:0000791 euchromatin
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6ie2, PDBe:6ie2, PDBj:6ie2
PDBsum6ie2
PubMed32051559
UniProtQ13686|ALKB1_HUMAN Nucleic acid dioxygenase ALKBH1 (Gene Name=ALKBH1)

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