Structure of PDB 5tfz Chain A Binding Site BS02

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 ID7BC
InChIInChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
InChIKeyCYUZOYPRAQASLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CCOC(=O)C=C
OpenEye OEToolkits 2.0.6C=CC(=O)OCCC(=O)O
ACDLabs 12.01O=C(OCCC(=O)O)[C@H]=C
FormulaC6 H8 O4
Name3-(acryloyloxy)propanoic acid
ChEMBLCHEMBL3185107
DrugBank
ZINCZINC000002389977
PDB chain5tfz Chain A Residue 202 [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)		W26 A45 H56 E62 Y64 Y122
Binding residue
(residue number reindexed from 1)		W27 A46 H57 E63 Y65 Y123
Annotation score1
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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