Structure of PDB 8stw Chain E Binding Site BS01

Receptor Information
>8stw Chain E (length=351) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRPDAPSRCTWQLGRPSPHHHTAPAKSPKILPDILKKIGDTPMVRINKIG
KKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPT
SGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNAR
FDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDG
KLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQT
EQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLC
GGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTNFLSDRWMLQKGF
L
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 chain8stw Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8stw Disease-causing cystathionine beta-synthase linker mutations impair allosteric regulation.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K119 N149 V255 G256 T257 G258 T260 G305 S349 P375 D376
Binding residue
(residue number reindexed from 1)		K73 N103 V209 G210 T211 G212 T214 G259 S303 P329 D330
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.22: cystathionine beta-synthase.
Gene Ontology
Molecular Function
GO:0004122 cystathionine beta-synthase activity
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0019343 cysteine biosynthetic process via cystathionine
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:8stw, PDBe:8stw, PDBj:8stw
PDBsum8stw
PubMed37949228
UniProtP35520|CBS_HUMAN Cystathionine beta-synthase (Gene Name=CBS)

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