Structure of PDB 6pd2 Chain A Binding Site BS03

Receptor Information
>6pd2 Chain A (length=615) Species: 243275 (Treponema denticola ATCC 35405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKQAVILAGGLGSRLKDKTKTMPKGFLEIGGTAIVEQSVQKLLAHGIEK
IVIGTGHCNEYYDNLAKKYPAIITVKNENYANTGSMGTLEVCASFVNESF
LLLESDLIYDSAGLFSLINDERKNLILASGATKSGDEVYLEADEKNCLTG
LSKNRDALKNIFGELVGITKLTKSTLDKMCAYAKIHHSDLPKMEYEHALL
EAAKTIPVAIKRIEYFVWREIDNEDHLEMAVKNIYPHIVENEKLRAVRRE
VLLNPGPATTTDSVKYAQVSADICPREKAFGDLMQWLCDELKLFALASET
NPDEYETVMFGCSGTGADEVMVSSCVPDTGRLLVIDNGSYGARMAKIADI
YKIPMDIFKSSTYEPLDLQKLEAEFATKKYTHLACVYHETTTGLLNPLHI
ICPMAKKYGMVTIVDAVSAYCGMPMDLKSLGIDFMASTSNKNIQGMAGVG
FVICNKAELEKTKDYPMRNYYLNLYDQYAYFAKTHQTRFTPPVQTMYALR
QAVLETKQETVQKRYERYTACWNILVAAIKKLGLKMLVKEEHQSHFITAI
LEPETPKYSFEALHDFAAEHSFTIYPGKLGNIDTFRIANIGDIQPEEMRR
FTVKLKEYMNGIGVG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6pd2 Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6pd2 The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D136 E220 D222
Binding residue
(residue number reindexed from 1)		D136 E220 D222
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.37: 2-aminoethylphosphonate--pyruvate transaminase.
2.7.7.107: (2-aminoethyl)phosphonate cytidylyltransferase.
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0047304 2-aminoethylphosphonate-pyruvate transaminase activity
Biological Process
GO:0019700 organic phosphonate catabolic process
GO:0032923 organic phosphonate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6pd2, PDBe:6pd2, PDBj:6pd2
PDBsum6pd2
PubMed31420548
UniProtQ73MU2|PNTCW_TREDE Bifunctional 2-aminoethylphosphonate cytidylyltransferase/aminotransferase (Gene Name=pntC)

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