Structure of PDB 4c5l Chain D Binding Site BS01

Receptor Information
>4c5l Chain D (length=269) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GALKKVLTIAGSDTSAGAGMQADLKTFQELDTYGMVALTAIVTMDKDTWS
HDVTPLPMDVFEKQLETALSIGPDAIKTGMLGTEEIIKRAGEVYEASNAQ
YFVVDPVMVCKGNPGNTEAMIKYLLPKATVVTPNLFEAGQLSGLGKLNSI
EDMKKAATIIFDKGAQHVIIKGGKALDQDKSYDLYYDGQTFYQLTTDMFQ
YNHGAGCTFAAATTAYLANGKSPKEAVISAKAFVASAIKNGWKMNDFVGP
VDHGAYNRIEHIDVEVTEV
Ligand information
Ligand IDUEG
InChIInChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
InChIKeyLXNHXLLTXMVWPM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1c(c(c(cn1)CO)CO)O
ACDLabs 12.01Oc1c(c(cnc1C)CO)CO
CACTVS 3.385Cc1ncc(CO)c(CO)c1O
FormulaC8 H11 N O3
Name4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
ChEMBLCHEMBL1364
DrugBankDB00165
ZINCZINC000000049154
PDB chain4c5l Chain D Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c5l A Subfamily of Bacterial Ribokinases Utilizes a Hemithioacetal for Pyridoxal Phosphate Salvage.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		G11 S12 D13 G19 V42 C110 C214
Binding residue
(residue number reindexed from 1)		G11 S12 D13 G19 V42 C110 C207
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K176 N209 G211 A212 G213 C214
Catalytic site (residue number reindexed from 1) K171 N202 G204 A205 G206 C207
Enzyme Commision number 2.7.1.35: pyridoxal kinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008902 hydroxymethylpyrimidine kinase activity
GO:0008972 phosphomethylpyrimidine kinase activity
GO:0016301 kinase activity
Biological Process
GO:0009228 thiamine biosynthetic process
GO:0016310 phosphorylation
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:4c5l, PDBe:4c5l, PDBj:4c5l
PDBsum4c5l
PubMed24601602
UniProtA0A0H3JTP0

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