Structure of PDB 5d87 Chain A Binding Site BS01

Receptor Information
>5d87 Chain A (length=316) Species: 426430 (Staphylococcus aureus subsp. aureus str. Newman) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QACHDSLLDSVGQTPMVQLHQLFPKHEVFAKLEYMNPGGSMKDRPAKYII
EHGIKHGLITENTHLIESTSGNLGIALAMIAKIKGLKLTCVVDPKISPTN
LKIIKSYGANVEMVEEPDAHGGYLMTRIAKVQELLATIDDAYWINQFANE
LNWQSHYHGAGTEIVETIKQPIDYFVAPVGTTGSIMGMSRKIKEVHPNAQ
IVAVDAKGSVIFGDKPINRELPGIGASRVPEILNRSEINQVIHVDDYQSA
LGCRKLIDYEGIFAGGSTGSIIAAIEQLITSIEEGATIVTILPDRGDRYL
DLVYSDTWLEKMKSRQ
Ligand information
Ligand IDPLP
InChIInChI=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)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5d87 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d87 Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		K47 N77 V184 G185 T186 T187 S189 G228 S272 P298 D299
Binding residue
(residue number reindexed from 1)		K42 N72 V179 G180 T181 T182 S184 G223 S267 P293 D294
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K47 S272
Catalytic site (residue number reindexed from 1) K42 S267
Enzyme Commision number 2.5.1.140: N-(2-amino-2-carboxyethyl)-L-glutamate synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5d87, PDBe:5d87, PDBj:5d87
PDBsum5d87
PubMed26794841
UniProtA6QDA0|SBNA_STAAE N-(2-amino-2-carboxyethyl)-L-glutamate synthase (Gene Name=sbnA)

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