Structure of PDB 1fgs Chain A Binding Site BS02

Receptor Information
>1fgs Chain A (length=393) Species: 1582 (Lacticaseibacillus casei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYTETVAYIHSFPRLAGDHRRILTLLHALGNPQQQGRYIHVTGTNGKGS
AANAIAHVLEASGLTVGLYTSPFIMRFNERIMIDHEPIPDAALVNAVAFV
RAALERLQQQQADFNVTEFEFITALAYWYFRQRQVDVAVIEVGDSTNVIT
PVVSVLTEVALDTITAIAKHKAGIIKRGIPVVTGNLVPDAAAVVAAKVAT
TGSQWLRFDRDFSVPKAKLHGWGQRFTYEDQDGRISDLEVPLVGDYQQRN
MAIAIQTAKVYAKQTEWPLTPQNIRQGLAASHWPARLEKISDTPLIVIDG
AHNPDGINGLITALKQLFSQPITVIAGYAAMADRLTAAFSTVYLVPVPGT
PRGRLKDSWQEALAASLNDVPDQPIVITGSLYLASAVRQTLLG
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain1fgs Chain A Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fgs Structural homologies with ATP- and folate-binding enzymes in the crystal structure of folylpolyglutamate synthetase.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G49 G51 S52
Binding residue
(residue number reindexed from 1)		G47 G49 S50
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.17: tetrahydrofolate synthase.
Gene Ontology
Molecular Function
GO:0004326 tetrahydrofolylpolyglutamate synthase activity
GO:0005524 ATP binding
GO:0008841 dihydrofolate synthase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0006761 dihydrofolate biosynthetic process
GO:0009058 biosynthetic process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0046901 tetrahydrofolylpolyglutamate 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:1fgs, PDBe:1fgs, PDBj:1fgs
PDBsum1fgs
PubMed9618466
UniProtP15925|FPGS_LACCA Folylpolyglutamate synthase (Gene Name=fpgS)

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