Structure of PDB 4f1j Chain B Binding Site BS01

Receptor Information
>4f1j Chain B (length=200) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVCNDEVDLYLLMDCSGSIRRHNWVKHAVPLAMKLIQQLNLNENAIHLYA
NIFSNNAKEIIRLHSDASKNKEKALIIIKSLLSTNLPYGRTNLSDALLQV
RKHLNDRINRENANQLVVILTDGIPDSIQDSLKESRKLNDRGVKIAVFGI
GQGINVAFNRFLVGCHPSDGKCNLYADSAWENVKNVIGPFMKAVCVEVEK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4f1j Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4f1j Structure of Plasmodium falciparum TRAP (thrombospondin-related anonymous protein) A domain highlights distinct features in apicomplexan von Willebrand factor A homologues.
Resolution1.73 Å
Binding residue
(original residue number in PDB)
S56 S58 D162
Binding residue
(residue number reindexed from 1)
S16 S18 D122
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links