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Structure of PDB 1rfu Chain F Binding Site BS01

Receptor Information >1rfu Chain F (length=312) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MEEECRVLSIQSHVVRGYVGNRAATFPLQVLGFEVDAVNSVQFSNHTGYS HWKGQVLNSDELQELYDGLKLNHVNQYDYVLTGYTRDKSFLAMVVDIVQE LKQQNPRLVYVCDPVMGDQRNGEGAMYVPDDLLPVYREKVVPVADIITPN QFEAELLTGRKIHSQEEALEVMDMLHSMGPDTVVITSSNLLSPRGSDYLM ALGSQRTRAPDGSVVTQRIRMEMHKVDAVFVGTGDLFAAMLLAWTHKHPN NLKVACEKTVSAMHHVLQRTIKCAKAKSGEGVKPSPAQLELRMVQSKKDI ESPEIVVQATVL

Ligand information Ligand ID PLP InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14) InChIKey NGVDGCNFYWLIFO-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.341 Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O OpenEye OEToolkits 1.5.0 Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O ACDLabs 10.04 O=P(O)(O)OCc1cnc(c(O)c1C=O)C Formula C8 H10 N O6 P Name PYRIDOXAL-5'-PHOSPHATE; VITAMIN B6 Phosphate ChEMBL CHEMBL82202 DrugBank DB00114 ZINC ZINC000001532514 PDB chain 1rfu Chain F Residue 5401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 1rfu Conformational changes in the reaction of pyridoxal kinase Resolution 2.8 Å Binding residue (original residue number in PDB) S12 V19 T47 Y84 Y127 V231 G232 G234 D235 Binding residue (residue number reindexed from 1) S12 V19 T47 Y84 Y127 V231 G232 G234 D235 Annotation score 3

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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