Structure of PDB 3buc Chain A Binding Site BS03

Receptor Information
>3buc Chain A (length=200) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWRHIRAEGLDSSYTVLFGKAEADEIFQELEKEVEYFTGALARVQVFGKW
HSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFNF
VLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSRPS
RRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFRKILL
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 chain3buc Chain A Residue 1 [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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PDB3buc Crystal structures of DNA/RNA repair enzymes AlkB and ABH2 bound to dsDNA.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		H171 D173 H236
Binding residue
(residue number reindexed from 1)		H116 D118 H178
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.33: DNA oxidative demethylase.
Gene Ontology

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Biological Process
External links
PDB RCSB:3buc, PDBe:3buc, PDBj:3buc
PDBsum3buc
PubMed18432238
UniProtQ6NS38|ALKB2_HUMAN DNA oxidative demethylase ALKBH2 (Gene Name=ALKBH2)

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