Structure of PDB 6pu6 Chain B Binding Site BS02

Receptor Information

>6pu6 Chain B (length=343) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MSIIAINENGFLDKIKGRNPLFTCVISSIETTLSIPISGVHRDVIKYTPS
ADVELVFYGKSLTLKTPPSPTPATITRACVELKNIKNLHIDAGAFVKPKI
PFIEIDEKPTGRIEEGKAMNNSKELYMKGYLLGKNLDAELLIVGESVPGG
TTTALGVLLGLGYDAEGKVSSGSINNPHELKIKVVREGLKKAGINEKSSV
FDVLNAVGDKMMPVVAGLAISFAERNKPVILAGGTQMSAVLAVIKEINKK
VLDKNLIAIGTTEFVLNDKKGDLKGIVEQIGNVPVLASKFYFEKAKIEGL
KNYCKGSVKEGVGAGGIAVYSIVNDLEPTKIREFIENKFYEWY

Ligand information

Ligand ID

NIO

InChI

InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)

InChIKey

PVNIIMVLHYAWGP-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0	c1cc(cnc1)C(=O)O
CACTVS 3.341	OC(=O)c1cccnc1

Formula

C6 H5 N O2

Name

NICOTINIC ACID

PDB chain

6pu6 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6pu6 Structural Studies of a Phosphoribosyltransferase Involved in Cobamide Biosynthesis in Methanogenic Archaea
Resolution	2.293 Å
Binding residue (original residue number in PDB)	S175 S176 G177 G239 T240 Q241 V313 E315
Binding residue (residue number reindexed from 1)	S170 S171 G172 G234 T235 Q236 V308 E310
Annotation score	5

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:6pu6, PDBe:6pu6, PDBj:6pu6
PDBsum	6pu6
PubMed	36229494
UniProt	Q58993\|Y1598_METJA UPF0284 protein MJ1598 (Gene Name=MJ1598)

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