Structure of PDB 6npb Chain A Binding Site BS02

Receptor Information
>6npb Chain A (length=377) Species: 506591 (Leisingera caerulea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMPRSVTADASGSFLTLTFEDGSESRFHAIWLRDNALDPETRSPGNGQR
LITIGDIPADTRISTALVDDGALTVTFAPEGKTVTFPGKWLKSNAYDTDQ
SSEVGRTSPDVETWDSSQPAPAFDWNEVQSDPKAKRDWLDAIARLGFAKL
VNGPVREGALIECASMFGFVRETNYGKYFEVRTEVNPTNLAYTGLGLQAH
TDNPYRDPVPSLQILYCLENSAEGGDSIVVDGFRAAERLRDEDPEGFALL
AGNPARFEYKGSDGVHLRARRPMIELSPDGEMIAIRFNNRSSAPFVDIPF
EKMEAYYAAYRRLGEFIDDPEMGVSFKLEPGESFIVDNTRVLHARLGYSG
SGSRWLQGCYADKDGLFSTLNVLNAQL
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain6npb Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6npb A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases.
Resolution1.73 Å
Binding residue
(original residue number in PDB)		V179 L195 H198 D200 H341 R343 R352
Binding residue
(residue number reindexed from 1)		V181 L197 H200 D202 H343 R345 R354
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.72: [2-(trimethylamino)ethyl]phosphonate dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008336 gamma-butyrobetaine dioxygenase activity
GO:0016491 oxidoreductase activity
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0045329 carnitine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6npb, PDBe:6npb, PDBj:6npb
PDBsum6npb
PubMed30789718
UniProtA0A4V8H042|TMPA_LEICA [2-(trimethylamino)ethyl]phosphonate dioxygenase (Gene Name=tmpA)

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