Structure of PDB 1gxz Chain B Binding Site BS01

Receptor Information

>1gxz Chain B (length=223) Species: 10116 (Rattus norvegicus)

PLMLDTAPNAFDDQYEGCVNKMEEKAPLLLQEDFNMNAKLKVAWEEAKKR
WNNIKPSRSYPKGFNDFHGTALVAYTGSIAVDFNRAVREFKENPGQFHYK
AFHYYLTRALQLLSNGDCHSVYRGTKTRFHYTGAGSVRFGQFTSSSLSKK
VAQSQEFFSDHGTLFIIKTCLGVYIKEFSFRPDQEEVLIPGYEVYQKVRT
QGYNEIFLDSPKRKKSNYNCLYS

Ligand information

• Ligand ID: BRT
• InChI: InChI=1S/C6H5BrN2O/c7-5-1-4(6(8)10)2-9-3-5/h1-3H,(H2,8,10)
• InChIKey: YOQRXZIMSKLRCY-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1c(cncc1Br)C(=O)N
  CACTVS 3.341: NC(=O)c1cncc(Br)c1
  ACDLabs 10.04: O=C(c1cncc(Br)c1)N
• Formula: C6 H5 Br N2 O
• Name: 5-BROMONICOTINAMIDE
• DrugBank: DB01854
• ZINC: ZINC000000071433
• PDB chain: 1gxz Chain B Residue 1227

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gxz Structure of the Ecto-Adp-Ribosyl Transferase Art2.2 From Rat
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): R126 G127 S147 S148 F160 Q187
• Binding residue (residue number reindexed from 1): R123 G124 S144 S145 F157 Q184
• Annotation score: 2

Enzymatic activity

• Catalytic site (original residue number in PDB): S147 E159 R184 E189
• Catalytic site (residue number reindexed from 1): S144 E156 R181 E186
• Enzyme Commision number: 2.4.2.31: NAD(+)--protein-arginine ADP-ribosyltransferase.
  3.2.2.5: NAD(+) glycohydrolase.

Gene Ontology

Molecular Function

• GO:0106274 NAD+-protein-arginine ADP-ribosyltransferase activity

External links

• PDB: RCSB:1gxz, PDBe:1gxz, PDBj:1gxz
• PDBsum: 1gxz
• PubMed: 12270706
• UniProt: P20974|NAR2B_RAT T-cell ecto-ADP-ribosyltransferase 2 (Gene Name=Art2b)