Structure of PDB 6su9 Chain A Binding Site BS02

Receptor Information
>6su9 Chain A (length=295) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKKENIISIQSQVFDGFCGNNIAAFVFRRRGHIPKILNTVQYYSKFKHSG
VELNSQEVDIILSEYNKDQENDSNIYFLTGYIKNAECVDMVTKNILELRR
KRKIHYFIENIINLNFLWVCDPVMGDNGRLYVDERVVESYKKAIEYVDII
TPNQYETELLCGIKINEEKDVIKCLDVLLHKGVKIVIITSVNYNFDKDHL
FLYVSFFNNKNKIVYFKYKILKIHFNCFGSGDLFSCLLLSFIVKQKGNIL
HIISKVLNIVQNVIKNSLTGLELNIIENQDIIASDDILIKEEPVF
Ligand information
Ligand IDPXL
InChIInChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
InChIKeyRADKZDMFGJYCBB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)CO)C=O)O
ACDLabs 10.04O=Cc1c(cnc(c1O)C)CO
CACTVS 3.341Cc1ncc(CO)c(C=O)c1O
FormulaC8 H9 N O3
Name3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE;
PYRIDOXAL
ChEMBLCHEMBL102970
DrugBankDB00147
ZINCZINC000000120249
PDB chain6su9 Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6su9 Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		S11 C18 H48 D429
Binding residue
(residue number reindexed from 1)		S11 C18 H48 D232
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.35: pyridoxal kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008478 pyridoxal kinase activity
GO:0016301 kinase activity
GO:0046872 metal ion binding
GO:0070280 pyridoxal binding
GO:0070281 pyridoxamine binding
GO:0070282 pyridoxine binding
Biological Process
GO:0000304 response to singlet oxygen
GO:0008614 pyridoxine metabolic process
GO:0009443 pyridoxal 5'-phosphate salvage
GO:0016310 phosphorylation
GO:0042816 vitamin B6 metabolic process
GO:0042819 vitamin B6 biosynthetic process
Cellular Component
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:6su9, PDBe:6su9, PDBj:6su9
PDBsum6su9
PubMed
UniProtC6KT01

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