Structure of PDB 6a54 Chain A Binding Site BS01

Receptor Information
>6a54 Chain A (length=126) Species: 335992 (Candidatus Pelagibacter ubique HTCC1062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIFVKNLASVLSQEWSSTEKYPGVRWKFLIDADFDGSSGLSLGFAEIAPG
GDLTLHYHSPAEIAVVTNGKGILNKSGKLETIKKGDVVYIAGNAEHALKN
NGKETLEFYWIFPTDRFSEVEYFPAK
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 chain6a54 Chain A Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a54 Structure-Function Analysis Indicates that an Active-Site Water Molecule Participates in Dimethylsulfoniopropionate Cleavage by DddK.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H56 H58 E62 H96
Binding residue
(residue number reindexed from 1)		H56 H58 E62 H96
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6a54, PDBe:6a54, PDBj:6a54
PDBsum6a54
PubMed30770407
UniProtQ4FNM4

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