Structure of PDB 1rft Chain A Binding Site BS02

Receptor Information
>1rft Chain A (length=309) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECRVLSIQSHVVRGYVGNRAATFPLQVLGFEVDAVNSVQFSNHTGYSHWK
GQVLNSDELQELYDGLKLNHVNQYDYVLTGYTRDKSFLAMVVDIVQELKQ
QNPRLVYVCDPVMGDQRNGEGAMYVPDDLLPVYREKVVPVADIITPNQFE
AELLTGRKIHSQEEALEVMDMLHSMGPDTVVITSSNLLSPRGSDYLMALG
SQRTRAPDGSVVTQRIRMEMHKVDAVFVGTGDLFAAMLLAWTHKHPNNLK
VACEKTVSAMHHVLQRTIKCAKAKSGEGVKPSPAQLELRMVQSKKDIESP
EIVVQATVL
Ligand information
Ligand IDPXM
InChIInChI=1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKeyNHZMQXZHNVQTQA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)CO)CN)O
ACDLabs 10.04Oc1c(c(cnc1C)CO)CN
CACTVS 3.341Cc1ncc(CO)c(CN)c1O
FormulaC8 H12 N2 O2
Name4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL;
PYRIDOXAMINE
ChEMBLCHEMBL593019
DrugBankDB11673
ZINCZINC000034926229
PDB chain1rft Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rft Conformational changes in the reaction of pyridoxal kinase
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S12 V19 T47 Y84 D235
Binding residue
(residue number reindexed from 1)		S9 V16 T44 Y81 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
Biological Process
GO:0009443 pyridoxal 5'-phosphate salvage
GO:0016310 phosphorylation
GO:0042816 vitamin B6 metabolic process
Cellular Component
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:1rft, PDBe:1rft, PDBj:1rft
PDBsum1rft
PubMed14722069
UniProtP82197|PDXK_SHEEP Pyridoxal kinase (Gene Name=PDXK)

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