Structure of PDB 1rfu Chain B Binding Site BS02
Receptor Information
>1rfu Chain B (length=312) Species:
9940
(Ovis aries) [
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MEEECRVLSIQSHVVRGYVGNRAATFPLQVLGFEVDAVNSVQFSNHTGYS
HWKGQVLNSDELQELYDGLKLNHVNQYDYVLTGYTRDKSFLAMVVDIVQE
LKQQNPRLVYVCDPVMGDQRNGEGAMYVPDDLLPVYREKVVPVADIITPN
QFEAELLTGRKIHSQEEALEVMDMLHSMGPDTVVITSSNLLSPRGSDYLM
ALGSQRTRAPDGSVVTQRIRMEMHKVDAVFVGTGDLFAAMLLAWTHKHPN
NLKVACEKTVSAMHHVLQRTIKCAKAKSGEGVKPSPAQLELRMVQSKKDI
ESPEIVVQATVL
Ligand information
Ligand ID
ADP
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
1rfu Chain B Residue 1402 [
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Receptor-Ligand Complex Structure
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PDB
1rfu
Conformational changes in the reaction of pyridoxal kinase
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
T186 S187 L199 M223 K225 V226 T233 G234 M263 L267
Binding residue
(residue number reindexed from 1)
T186 S187 L199 M223 K225 V226 T233 G234 M263 L267
Annotation score
5
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1rfu
,
PDBe:1rfu
,
PDBj:1rfu
PDBsum
1rfu
PubMed
14722069
UniProt
P82197
|PDXK_SHEEP Pyridoxal kinase (Gene Name=PDXK)
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