Structure of PDB 8r2h Chain B Binding Site BS01

Receptor Information
>8r2h Chain B (length=701) Species: 5833 (Plasmodium falciparum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIGKYFKQINTFINIDEYKTIYGDEIYKEIYELYVERNIPEYYERKYFSE
DIKKSVLFDIDKYNDVEFEKAIKEEFINNGVYINNIDNTYYKKENILIMK
KILHYFPLLKLINNPSDLKKLKKQYLPLLAHELKIFLFFIVNITGGHFSS
VLSSLEIQLLLLYIFNQPYDNVIYDIGHQAYVHKILTGRKLLFLSLRNKK
GISGFLNIFESIYDKFGAGHSSTSLSAIQGYYEAEWQVKNKEVDKVHIAI
IGDGGLTGGMALEALNYISFLNSKILIIYNDNGQVSLPTNAVSISGNRPI
GSISDHLHYFVNNIFENLNYDYIGVVNGNNTEELFKVLNNIKENKLKRAT
VLHVRTKKSNKYEDMFSKETFTDIYTNEMLKYLKKDRNIIFLSPAMLGGS
GLVKISERYPNNVYDVGIAEQHSVTFAAAMAMNKKLKIQLCIYSTFLQRA
YDQIIHDLNLQNIPLKVIIGRSGLVGEDGATHQGIYDLSYLGTLNNAYII
SPSNQVDLKRALRFAYLDKDHSVYIRIPRMNILSDKYMKGYLNIMDDDNF
IKSFIGKSRIIKMTKKKKVCIFNMGSMLFNVINAIKEIEKEQYISHNYSF
SIVDMIFLNPLDKNMIDHVIKQNKHQYLITYEDNTIGGFSTHFNNYLIEN
NYITKHNLYVHNIYLSNEPIEHASFKDQQEVVKMDKCSLVNRIKNYLKNN
P
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 chain8r2h Chain B Residue 1301 [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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PDB8r2h Cryo-EM structure of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Plasmodium falciparum
Resolution2.42 Å
Binding residue
(original residue number in PDB)		D628 N657 Q659
Binding residue
(residue number reindexed from 1)		D253 N282 Q284
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.7: 1-deoxy-D-xylulose-5-phosphate synthase.
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