Structure of PDB 3hyo Chain A Binding Site BS01

Receptor Information
>3hyo Chain A (length=273) Species: 1590 (Lactiplantibacillus plantarum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTMLVAEDLSAVGGISLSSALPVLTAMQYDVAALPTSLLSTHTSGYGTP
AVVDLSTWLPQVFAHWTRAQLHFDQALIGYVGSVALCQQITTYLEQQTLS
LLVVDPVLGDLGQLYQGFDQDYVAAMRQLIQQADVILPNTTEAALLTGAP
YQVTPDLEVILPALQAQLKTGAHAVITDVQRADQIGCAWLDEAGHVQYCG
ARRLPGHYNGTGDTLAAVIAGLLGRGYPLAPTLARANQWLNMAVAETIAQ
NRTDDRQGVALGDLLQAILALNE
Ligand information
Ligand IDADP
InChIInChI=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
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3hyo Chain A Residue 281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hyo Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ADP
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T177 I185 L204 T211 G212 L240
Binding residue
(residue number reindexed from 1)		T177 I185 L204 T211 G212 L240
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D178 G210
Catalytic site (residue number reindexed from 1) D178 G210
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
Biological Process
GO:0009443 pyridoxal 5'-phosphate salvage
GO:0016310 phosphorylation
GO:0042816 vitamin B6 metabolic process
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:3hyo, PDBe:3hyo, PDBj:3hyo
PDBsum3hyo
PubMed
UniProtF9UM74

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