Structure of PDB 5zq6 Chain C Binding Site BS01

Receptor Information
>5zq6 Chain C (length=819) Species: 446 (Legionella pneumophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPTWNGFSLYTDETVRNAARYAYDNYLGKPYTGTVEATPVNFGGQMVYRQ
HHGLAHTLRTMAYAEIIVEEARKAKLRGESLKTFADGRTLADVTPEELRK
IMIAQAFFVTGRDDEESSKNYEKYHEQSRDAFLKYVEENKSTLIPDVFKD
EKDVKFYADVIEDKDHKWADSPAHVLVNQGHMVDLVRVKQPPESYLEYYF
SQLQPWIGSTATEAVFATQRQFFHATYEAVAGFDSENKEPHLVVDGLGRY
VIPIRELKFFSQKKKLEENQRYMRVDEYLKLDEVQKRFPGAGKKLDGGLP
GLKEYQYLQRLNSINRARCENDVDFCLGQLQTAHHQTKITPIKRAFQSSS
EKARRQPNMDEIAAARIVQQIMANPDCIHDDHVFLNGQKLEEKFFRDLLA
KCDMAIVGSLLNDTDIRNIDTLMQHERNTEFHSTDAKAKPVKLGETWEKT
IRSGGGVTQIKHDLIFLMQNDAWYHTRVNAIAQNRDKDSTFKEVLITALM
TPLTNKSLMDTSRSPAPKTLFRGLDLSEEFKNKLINQAETIIANTTEHLF
TDLSTEAFKQIKLNDFSQVSARTCASTSTNIEVPRTIFGSNTIFEILDPD
GLLHPKQVGTHVSGSESEYSIYLPEDVALVPIKVSFDGKTGKGKDRHIFT
LVAVKSPDFTPRHESGYAVGPLLKMQTPKLEEIQRLVEQAREEPDLERVF
NLQSRVARQAKFSTESGYKTFLNEKVAPVLEQSLNGLLDNNVTILGKVLS
AFPSDGQWSAFNSVEARQMKIQMDAIKQMVEKKAVLEGQILPALAQCQNA
LEKQNIAGALQALRNIPSL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5zq6 Chain C Residue 1101 [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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PDB5zq6 Structural Insights into Non-canonical Ubiquitination Catalyzed by SidE.
Resolution3.009 Å
Binding residue
(original residue number in PDB)		H274 R334 W390 N400 H403 M404 Q424
Binding residue
(residue number reindexed from 1)		H52 R112 W168 N178 H181 M182 Q202
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0106274 NAD+-protein-arginine ADP-ribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:5zq6, PDBe:5zq6, PDBj:5zq6
PDBsum5zq6
PubMed29731171
UniProtQ6BBR6

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