Structure of PDB 5x5h Chain A Binding Site BS01

Receptor Information
>5x5h Chain A (length=385) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDPNTQGFSTASIHAGYEPDDYYGSINTPIYASTTFAQNAPNELRKGYEY
TRVGNPTIVALEQTVAALEGAKYGRAFSSGMAATDILFRIILKPGDHIVL
GNDAYGGTYRLIDTVFTAWGVEYTVVDTSVVEEVKAAIKDNTKLIWVETP
TNPALGITDIEAVAKLTEGTNAKLVVDNTFASPYLQQPLKLGAHAVLHST
TKYIGGHSDVVGGLVVTNDQEMDEELLFMQGGIGPIPSVFDAYLTARGLK
TLAVRMDRHCDNAEKIAEFLDSRPEVSTVLYPGLKNHPGHEVAAKQMKRF
GGMISVRFAGGEEAAKKFCTSTKLICLAESLGGVESLLEHPATMTHQSAA
GSQLEVPRDLVRISIGIEDIEDLLADVEQALNNLH
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 chain5x5h 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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PDB5x5h Structural Insights into Substrate Specificity of Cystathionine gamma-Synthase from Corynebacterium glutamicum
Resolution1.51 Å
Binding residue
(original residue number in PDB)		G82 M83 Y107 D179 S201 T203 K204
Binding residue
(residue number reindexed from 1)		G80 M81 Y105 D177 S199 T201 K202
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R54 Y107 D179 K204
Catalytic site (residue number reindexed from 1) R52 Y105 D177 K202
Enzyme Commision number 2.5.1.48: cystathionine gamma-synthase.
Gene Ontology
Molecular Function
GO:0003962 cystathionine gamma-synthase activity
GO:0016740 transferase activity
GO:0016846 carbon-sulfur lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0046872 metal ion binding
Biological Process
GO:0009086 methionine biosynthetic process
GO:0019346 transsulfuration
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:5x5h, PDBe:5x5h, PDBj:5x5h
PDBsum5x5h
PubMed28675039
UniProtQ79VD9

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