Structure of PDB 6z4n Chain BBB Binding Site BS01

Receptor Information
>6z4n Chain BBB (length=318) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSKIYEDNSLTIGHTPLVRLNRIGNGRILAKVESRNPSFSVKCRIGANM
IWDAEKRGVLKPGVELVEPTSGNTGIALAYVAAARGYKLTLTMPETMSIE
RRKLLKALGANLVLTEGAKGMKGAIQKAEEIVASDPQKYLLLQQFSNPAN
PEIHEKTTGPEIWEDTDGQVDVFISGVGTGGTLTGVTRYIKGTKGKTDLI
TVAVEPTDSPVIAQALAGEEIKPGPHKIQGIGAGFIPGNLDLKLIDKVVG
ITNEEAISTARRLMEEEGILAGISSGAAVAAALKLQEDESFTNKNIVVIL
PSSGERYLSTALFADLFT
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 chain6z4n Chain BBB Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z4n Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		K41 N71 V175 G176 T177 G178 T180 G228 S272 P299
Binding residue
(residue number reindexed from 1)		K43 N73 V177 G178 T179 G180 T182 G230 S274 P301
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.47: cysteine 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
GO:0080146 L-cysteine desulfhydrase activity
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:6z4n, PDBe:6z4n, PDBj:6z4n
PDBsum6z4n
PubMed33513010
UniProtP0A1E3|CYSK_SALTY Cysteine synthase A (Gene Name=cysK)

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