Structure of PDB 6g0c Chain A Binding Site BS01

Receptor Information
>6g0c Chain A (length=624) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDKSVPVWNGFSLYTDDTVKAAAQYAYDNYLGKPYTGSVESAPANFGGRM
VYRQHHGLSHTLRTMAYAELIVEEARKAKLRGETLGKFKDGRTIADVTPQ
ELKKIMIAQAFFVAGRDDEASDAKNYQKYHEQSRDAFLKYVKDNESTLIP
DVFKDQEDVNFYARVIEDKSHDWESTPAHVLINQGHMVDLVRVKPPESFL
QRYFSSMQRWIGSQATEAVFGIQRQFFHATYEVVAGFDSDNKEPHLVVSG
LGRYVIGAPKKGQKEGDLKVFPQTYERLMRVDEFLKLPEIQNTFPGSGKH
LQGGMPGMNEMDYWNRLNSLNRARCENDVDFCLKQLQTAHDKAKIEPIKQ
AFQSSKGKERRQPNVDEIAAARIIQQILANPDCIHDDHVLINGQKLEQQF
FRDLLAKCEMAVVGSLLNDTDIGNIDTLMRHEKDTEFHSTNPEAVPVKIG
EYWINDQRIITQKKHDLIFLMQNDAWYFSRVNAIAQNRDKGSTFKEVLIT
TLMTPLTSKALVDTSQPPTRLFRGLNLSEEFTKGLIDQANAMIANTTERL
FTDNASTTTEIKLVKETWDSNVIFEMLDPDGLLHEFSVYLPEDVALVPVK
VTLDGKTQKGENRYVFTFVAVKSP
Ligand information
Ligand ID1PS
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyREEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S](=O)(=O)CCC[n+]1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[n+]1ccccc1
OpenEye OEToolkits 1.5.0c1cc[n+](cc1)CCCS(=O)(=O)[O-]
FormulaC8 H11 N O3 S
Name3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
1-(3-SULFOPROPYL) PYRIDINIUM;
PPS
ChEMBL
DrugBank
ZINC
PDB chain6g0c Chain A Residue 1001 [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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PDB6g0c Insights into catalysis and function of phosphoribosyl-linked serine ubiquitination.
Resolution2.802 Å
Binding residue
(original residue number in PDB)		W394 N404 W432
Binding residue
(residue number reindexed from 1)		W173 N183 W210
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.-
2.4.2.31: NAD(+)--protein-arginine ADP-ribosyltransferase.
3.4.22.-
Gene Ontology
Molecular Function
GO:0106274 NAD+-protein-arginine ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6g0c, PDBe:6g0c, PDBj:6g0c
PDBsum6g0c
PubMed29795347
UniProtQ5ZTK4|SDEA_LEGPH Ubiquitinating/deubiquitinating enzyme SdeA (Gene Name=sdeA)

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