Structure of PDB 8rsi Chain B Binding Site BS02

Receptor Information
>8rsi Chain B (length=260) Species: 66851 (Methanobrevibacter oralis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMNNDEQLEFLINYLLDERSESIDIPKTFSEKRNLLRSLMNMRHPSNISE
EFLRIQDEFLSRETANKNLTSVEDISLSSGKIMLWQGDITTLSADAIVNA
ANSKLLGCFIPMHNCIDNIIHSASGLQLREECNRMIMLQGGDEDVGKAKI
TNAYNLPSKYVVHTVGPSIERGMRVSSDDVKKLERCYNSCLELASEYKLN
SIAFCCISTGVFNFPQKKAAEIAIRTVKDFLNSNETSLNHIIFDVFTDKD
YDIYKKLLFG
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain8rsi Chain B Residue 306 [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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PDB8rsi Evolutionary and molecular basis of ADP-ribosylation reversal by zinc-dependent macrodomains
Resolution2.059 Å
Binding residue
(original residue number in PDB)		Y159 Y196
Binding residue
(residue number reindexed from 1)		Y160 Y197
Annotation score4
External links