Structure of PDB 4wy0 Chain E Binding Site BS01

Receptor Information
>4wy0 Chain E (length=247) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMQKGGVIMDVVNAEQAKIAEAAGAVAVMALEGGVARMADPTVIEEVMNA
VSIPVMAKVRIGHYVEARVLEALGVDYIDESEVLTPADEEFHIDKRQFTV
PFVCGCRDLGEAARRIAEGASMLRTKGEPGTGNIVEAVRHMRKVNAQIRK
VVNMSEDELVAEAKQLGAPVEVLREIKRLGRLPVVNFAAGGVTTPADAAL
MMHLGADGVFVGSGIFKSENPEKYARAIVEATTHYEDYELIAHLSKG
Ligand information
Ligand IDR5P
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
InChIKeyPPQRONHOSHZGFQ-LMVFSUKVSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)C=O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C=O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C=O)(O)O
OpenEye OEToolkits 1.7.6C(C(C(C(C=O)O)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
NameRIBOSE-5-PHOSPHATE
ChEMBL
DrugBankDB02053
ZINCZINC000022116391
PDB chain4wy0 Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wy0 Crystal structures capture three states in the catalytic cycle of a pyridoxal phosphate (PLP) synthase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H115 R137 R138
Binding residue
(residue number reindexed from 1)		H92 R114 R115
Annotation score5
Enzymatic activity
Enzyme Commision number 4.3.3.6: pyridoxal 5'-phosphate synthase (glutamine hydrolyzing).
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016843 amine-lyase activity
GO:0036381 pyridoxal 5'-phosphate synthase (glutamine hydrolysing) activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0008615 pyridoxine biosynthetic process
GO:0042819 vitamin B6 biosynthetic process
GO:0042823 pyridoxal phosphate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4wy0, PDBe:4wy0, PDBj:4wy0
PDBsum4wy0
PubMed25568319
UniProtQ5L3Y2|PDXS_GEOKA Pyridoxal 5'-phosphate synthase subunit PdxS (Gene Name=pdxS)

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