Structure of PDB 6pt8 Chain A Binding Site BS02

Receptor Information
>6pt8 Chain A (length=350) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSIIAINENGFLDKIKGRNPLFTCVISSIETTLSIPISGVHRDVIKYTPS
ADVELVFYGKSLTLKTPPIDATGSPTPATITRACVELKNIKNLHIDAGAF
VKPKIPFIEIDEKPTGRIEEGKAMNNSKELYMKGYLLGKNLDAELLIVGE
SVPGGTTTALGVLLGLGYDAEGKVSSGSINNPHELKIKVVREGLKKAGIN
EKSSVFDVLNAVGDKMMPVVAGLAISFAERNKPVILAGGTQMSAVLAVIK
EINKKVLDKNLIAIGTTEFVLNDKKGDLKGIVEQIGNVPVLASKFYFEKA
KIEGLKNYCKGSVKEGVGAGGIAVYSIVNDLEPTKIREFIENKFYEWYKE
Ligand information
Ligand IDNIO
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1
FormulaC6 H5 N O2
NameNICOTINIC ACID
ChEMBLCHEMBL573
DrugBankDB00627
ZINCZINC000000001795
PDB chain6pt8 Chain A Residue 602 [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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PDB6pt8 Structural Studies of a Phosphoribosyltransferase Involved in Cobamide Biosynthesis in Methanogenic Archaea
Resolution1.4 Å
Binding residue
(original residue number in PDB)		T156 S175 S176 G177 G239 T240 Q241 V313 E315
Binding residue
(residue number reindexed from 1)		T156 S175 S176 G177 G239 T240 Q241 V313 E315
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008939 nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6pt8, PDBe:6pt8, PDBj:6pt8
PDBsum6pt8
PubMed36229494
UniProtQ58993|Y1598_METJA UPF0284 protein MJ1598 (Gene Name=MJ1598)

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