Structure of PDB 8r3q Chain B Binding Site BS02

Receptor Information
>8r3q Chain B (length=670) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNEIDTKCINEIRMLSAELPLEAKSGHQGAPIGCAPIAHILWSYVMNYYN
EDTKWINRDRFILSNGHASALLYTMLYLTEQGLSMEDLKSFRQFGSLTPG
HPENHITKGVEVTTGPLGQGASNAVGMAIAAHNLADKYNTEEHKIFDNYV
YAICGDGCMQEGVFCEAASLAGHLGLGRLILLYDDNKITIDGNTDLSFTE
NIEKKFEALNWEVRRVEDGNKDYKKILHEIEQGKKNLQQPTLIIVRTACG
FGTKVEGTCKSHGLALNDEDLKNAKSFFGLDPQKKFHISDEVKEFYKNVI
QKKKENYIKWKNMFDDFSLKYPQVSQEIIRRFQNDLPNNWKDALPKYTPK
DAPGATRNLSGIVLNSINKIFPELIGGSADLSESNCTSLKEENDIKKNSY
GNKYIRFGVREHGMVAITNGLYAYGGFKPYCGTFLNFYTYAFGALRLAAL
SNHHILCIATHDSVELGEDGPTHQPIEVLSLLRSTPNLNIIRPADGNEVS
GAYLSHFSNPHTPTVIALCRNKVPHLNNTQPEQVLKGAYILEDFDTSNNP
KVILTGSGSELHLCFEAKEILKNQHQLNVRIVSFPSWTLFKKQPEDYQYS
VMMHNHPNLPRFYIEPASTHGFDTYFNVYIGINQFGYSAPKNKIWEHLGF
TPENIVQKVLAFMKNKLKEN
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 chain8r3q Chain B Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8r3q Are Transketolases relevant Targets fighting Human Pathogens? A comparative Biochemical, Bioinformatic and Structural Study
Resolution1.88 Å
Binding residue
(original residue number in PDB)		D160 N190 I192
Binding residue
(residue number reindexed from 1)		D156 N186 I188
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8r3q, PDBe:8r3q, PDBj:8r3q
PDBsum8r3q
PubMed
UniProtC6KSV3

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