Structure of PDB 6a53 Chain B Binding Site BS01

Receptor Information
>6a53 Chain B (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
GDLTLHYHSPAEIYVVTNGKGILNKSGKLETIKKGDVVYIAGNAEHALKN
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 chain6a53 Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6a53 Structure-Function Analysis Indicates that an Active-Site Water Molecule Participates in Dimethylsulfoniopropionate Cleavage by DddK.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H56 H58 E62 Y64 H96
Binding residue
(residue number reindexed from 1)		H56 H58 E62 Y64 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:6a53, PDBe:6a53, PDBj:6a53
PDBsum6a53
PubMed30770407
UniProtQ4FNM4

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