Structure of PDB 3wqo Chain A Binding Site BS01

Receptor Information
>3wqo Chain A (length=271) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMKFGVSSLVFLPESLTSSMEKIAEHNFDAWEIVCEGTHYLSPKNIKYLM
ELRDRYEVEIVVHAPFSDLNPASMNERVRKLTVECIRDAIEGAFELDSEV
VVVHPGYIPELWSNYVSEILDNNFSTLSEIVEIAEDYGIKIGLENMPNFR
GVLGITPESLLEIVKDIDSKNLGITFDIGHANTAGNPAEFVEKLQNIGIG
IIHVHAHDNNGYDDEHLKIGEGNINFIEVLEKLKEIGYDGVISIENKNIR
DAVKSKEILKEYLEIVNEKVA
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 chain3wqo Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wqo Structure of D-tagatose 3-epimerase-like protein from Methanocaldococcus jannaschii
Resolution2.64 Å
Binding residue
(original residue number in PDB)		H195 D229 H231
Binding residue
(residue number reindexed from 1)		H180 D214 H216
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0008270 zinc ion binding
Biological Process
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:3wqo, PDBe:3wqo, PDBj:3wqo
PDBsum3wqo
PubMed25005083
UniProtQ58707|Y1311_METJA Uncharacterized protein MJ1311 (Gene Name=MJ1311)

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