Structure of PDB 2hw2 Chain A Binding Site BS01

Receptor Information
>2hw2 Chain A (length=138) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKPFEVHESGAYLHGTKAELKVGDRLVPGRESNFEAGRIMNHIYITQTLD
AAVWGAELAAGEGRGRIFIVEPEGAIEDDPNVTDKKLPGNPTRSYRTREP
VWIVGELTDWVGHPPEQLAAMRQGLEELRRKGLAVIYD
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain2hw2 Chain A Residue 144 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hw2 Rifamycin antibiotic resistance by ADP-ribosylation: Structure and diversity of Arr.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		Y49 D84
Binding residue
(residue number reindexed from 1)		Y44 D79
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.2.30: NAD(+) ADP-ribosyltransferase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:2hw2, PDBe:2hw2, PDBj:2hw2
PDBsum2hw2
PubMed18349144
UniProtA0QRS5

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