Structure of PDB 3s5a Chain A Binding Site BS03

Receptor Information
>3s5a Chain A (length=204) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSWRHIRAEGLDSSYTVLFGKAEADEIFQELEKEVEYFTGALARVQVFGK
WHSVPRKQATYGDAGLTYTFSGLTLSPKPWIPVLERIRDHVSGVTGQTFN
FVLINRYKDGSDHICEHRDDERELAPGSPIASVSFGASRDFVFRHKDSRG
KSPSRRVAVVRLPLAHGSLLMMNHPTNTHWYHSLPVRKKVLAPRVNLTFR
KILL
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 chain3s5a Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s5a Duplex interrogation by a direct DNA repair protein in search of base damage
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H171 D173 H236
Binding residue
(residue number reindexed from 1)		H117 D119 H182
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:3s5a, PDBe:3s5a, PDBj:3s5a
PDBsum3s5a
PubMed22659876
UniProtQ6NS38|ALKB2_HUMAN DNA oxidative demethylase ALKBH2 (Gene Name=ALKBH2)

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