Structure of PDB 5trq Chain A Binding Site BS01

Receptor Information
>5trq Chain A (length=283) Species: 1433842 (Hapalosiphon welwitschii UTEX B 1830) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKPALHFLDINATEVKKYPTAIQDIIINRSFDGMIIRGVFPRDTMEQVAR
CLEEGNDGGMKSILNKNEEFGTKVAQIYGHAIVGQSPDLKDYFASSAIFR
QACRTMFQGSPDFEEQVESIFHSLSGLPVEIPTGPEGQTYTPATIRLLLE
GREIAVHVGNDFLLMPAANHLKTLLDLSDQLSYFIPLTVPEAGGELVVYS
LEWNPQEASKYAQMQEYMDDVEFKIKSNQSQSVAYAPGPGDMLLFNGGRY
YHRVSEVIGNSPRRTIGGFLAFSKQRDKIYYWS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5trq Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5trq WELO5 SMALL MOLECULE HALOGENASE WITH NI(II) AND SUCCINATE
Resolution1.3 Å
Binding residue
(original residue number in PDB)		E198 N267
Binding residue
(residue number reindexed from 1)		E191 N260
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:5trq, PDBe:5trq, PDBj:5trq
PDBsum5trq
PubMed
UniProtA0A067YX61

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