Structure of PDB 6pd1 Chain B Binding Site BS01

Receptor Information
>6pd1 Chain B (length=607) Species: 243275 (Treponema denticola ATCC 35405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKQAVILAGGLGKTMPKGFLEIGGTAIVEQSVQKLLAHGIEKIVIGTGH
CNEYYDNLAKKYPAIITVKNENYANTGSMGTLEVCASFVNESFLLLESDL
IYDSAGLFSLINDERKNLILASGATKSGDEVYLEADEKNCLTGLSKNRDA
LKNIFGELVGITKLTKSTLDKMCAYAKIHHSDLPKMEYEHALLEAAKTIP
VAIKRIEYFVWREIDNEDHLEMAVKNIYPHIVENEKLRAVRREVLLNPGP
ATTTDSVKYAQVSADICPREKAFGDLMQWLCDELKLFALASETNPDEYET
VMFGCSGTGADEVMVSSCVPDTGRLLVIDNGSYGARMAKIADIYKIPMDI
FKSSTYEPLDLQKLEAEFATKKYTHLACVYHETTTGLLNPLHIICPMAKK
YGMVTIVDAVSAYCGMPMDLKSLGIDFMASTSNKNIQGMAGVGFVICNKA
ELEKTKDYPMRNYYLNLYDQYAYFAKTHQTRFTPPVQTMYALRQAVLETK
QETVQKRYERYTACWNILVAAIKKLGLKMLVKEEHQSHFITAILEPETPK
YSFEALHDFAAEHSFTIYPGKLGNIDTFRIANIGDIQPEEMRRFTVKLKE
YMNGIGV
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 chain6pd1 Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6pd1 The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		E104 D106 E220
Binding residue
(residue number reindexed from 1)		E97 D99 E213
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:6pd1, PDBe:6pd1, PDBj:6pd1
PDBsum6pd1
PubMed31420548
UniProtQ73MU2|PNTCW_TREDE Bifunctional 2-aminoethylphosphonate cytidylyltransferase/aminotransferase (Gene Name=pntC)

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