Structure of PDB 6pu6 Chain B Binding Site BS01

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 IDRBZ
InChIInChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1
InChIKeyZMRGXEJKZPRBPJ-SYQHCUMBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1cc(c(cc12)C)C)C(O)C3O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341Cc1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2cc1C
CACTVS 3.341Cc1cc2ncn([C@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C
FormulaC14 H19 N2 O7 P
NameALPHA-RIBAZOLE-5'-PHOSPHATE
ChEMBL
DrugBankDB02030
ZINCZINC000005930819
PDB chain6pu6 Chain B Residue 401 [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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PDB6pu6 Structural Studies of a Phosphoribosyltransferase Involved in Cobamide Biosynthesis in Methanogenic Archaea
Resolution2.293 Å
Binding residue
(original residue number in PDB)		S38 G39 D52 P68 P77 E150 V152 P153 G154 T156 G177 Q241 G316
Binding residue
(residue number reindexed from 1)		S38 G39 D52 P68 P72 E145 V147 P148 G149 T151 G172 Q236 G311
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:6pu6, PDBe:6pu6, PDBj:6pu6
PDBsum6pu6
PubMed36229494
UniProtQ58993|Y1598_METJA UPF0284 protein MJ1598 (Gene Name=MJ1598)

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