Structure of PDB 1td2 Chain A Binding Site BS01

Receptor Information
>1td2 Chain A (length=287) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMKNILAIQSHVVYGHAGNSAAEFPMRRLGANVWPLNTVQFSNHTQYGKW
TGCVMPPSHLTEIVQGIAAIDKLHTCDAVLSGYLGSAEQGEHILGIVRQV
KAANPQAKYFCDPVMGHPEKGCIVAPGVAEFHVRHGLPASDIIAPNLVEL
EILCEHAVNNVEEAVLAARELIAQGPQIVLVKHLARAGYSRDRFEMLLVT
ADEAWHISRPLVDFGMRQPVGVGDVTSGLLLVKLLQGATLQEALEHVTAA
VYEIMVTTKAMQEYELQVVAAQDRIAKPEHYFSATKL
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 chain1td2 Chain A Residue 288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1td2 Crystal structure of the PdxY Protein from Escherichia coli
Resolution2.22 Å
Binding residue
(original residue number in PDB)		S10 H44 T45 Q46 Y83 C122 D224
Binding residue
(residue number reindexed from 1)		S10 H44 T45 Q46 Y83 C122 D224
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.35: pyridoxal kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0008478 pyridoxal kinase activity
GO:0016301 kinase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0009443 pyridoxal 5'-phosphate salvage
GO:0016310 phosphorylation
GO:0042816 vitamin B6 metabolic process
GO:0042817 pyridoxal 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:1td2, PDBe:1td2, PDBj:1td2
PDBsum1td2
PubMed15547280
UniProtP77150|PDXY_ECOLI Pyridoxal kinase PdxY (Gene Name=pdxY)

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