Structure of PDB 1qgn Chain A Binding Site BS01

Receptor Information
>1qgn Chain A (length=398) Species: 4097 (Nicotiana tabacum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKYASFLNSDGSVAIHAGERLGRGIVTDAITTPVVNTSAYFFNKTSELID
FKEKRRASFEYGRYGNPTTVVLEEKISALEGAESTLLMASGMCASTVMLL
ALVPAGGHIVTTTDCYRKTRIFIETILPKMGITATVIDPADVGALELALN
QKKVNLFFTESPTNPFLRCVDIELVSKLCHEKGALVCIDGTFATPLNQKA
LALGADLVLHSATKFLGGHNDVLAGCISGPLKLVSEIRNLHHILGGALNP
NAAYLIIRGMKTLHLRVQQQNSTALRMAEILEAHPKVRHVYYPGLQSHPE
HHIAKKQMTGFGGAVSFEVDGDLLTTAKFVDALKIPYIAPSFGGCESIVD
QPAIMSYWDLSQSDRAKYGIMDNLVRFSFGVEDFDDLKADILQALDSI
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 chain1qgn Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qgn The crystal structure of cystathionine gamma-synthase from Nicotiana tabacum reveals its substrate and reaction specificity.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S137 G138 M139 Y163 D236 S258 T260 K261 F389
Binding residue
(residue number reindexed from 1)		S90 G91 M92 Y116 D189 S211 T213 K214 F342
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R110 Y163 D236 K261
Catalytic site (residue number reindexed from 1) R63 Y116 D189 K214
Enzyme Commision number 4.2.99.9: Transferred entry: 2.5.1.48.
Gene Ontology
Molecular Function
GO:0003962 cystathionine gamma-synthase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009086 methionine biosynthetic process
GO:0019346 transsulfuration

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qgn, PDBe:1qgn, PDBj:1qgn
PDBsum1qgn
PubMed10438597
UniProtQ9ZPL5

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