Structure of PDB 5tfz Chain A Binding Site BS01

Receptor Information
>5tfz Chain A (length=127) Species: 335992 (Candidatus Pelagibacter ubique HTCC1062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMIFVKNLASVLSQEWSSTEKYPGVRWKFLIDADFDGSSGLSLGFAEIAP
GGDLTLHYHSPAEIYVVTNGKGILNKSGKLETIKKGDVVYIAGNAEHALK
NNGKETLEFYWIFPTDRFSEVEYFPAK
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain5tfz Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tfz Structural and Biochemical Insights into Dimethylsulfoniopropionate Cleavage by Cofactor-Bound DddK from the Prolific Marine Bacterium Pelagibacter.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H56 H58 E62 H96
Binding residue
(residue number reindexed from 1)		H57 H59 E63 H97
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:5tfz, PDBe:5tfz, PDBj:5tfz
PDBsum5tfz
PubMed28511016
UniProtQ4FNM4

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