Structure of PDB 4hdk Chain B Binding Site BS01

Receptor Information

>4hdk Chain B (length=327) Species: 2378 (Sporomusa ovata)

LEELIAAIKPLDSIAMEQCQRRVDNLTKPLNSLHSFEHIACKLAGISGNP
RPRALEKSIIIMAADNGVAQMTTAARLTGFCQGQAPIQVFAAHVQARLIM
VDIGVAADLPHSPAVCRKKLAYGSRNSTEGPAMTRQQAIQAIEVGVRIAQ
AEIARGCQVIGLGEMGLGGLAAAMAIVACCHGQPLPGLAGREAELVNTAI
AVNRPNAADPLDILTKVGGLAIAGLVGVILGAAAGRAAVVLDGLATSTAA
LIAINLVPDVKPYLIGSHFAAEPAHETALALLDVPAYLQLKMNLGEGTGA
ALGMSVINATLHMLNDMKTFGEAEVAV

Ligand information

• Ligand ID: 13X
• InChI: InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
• InChIKey: QCDYQQDYXPDABM-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01
  CACTVS 3.370: Oc1cc(O)cc(O)c1
  OpenEye OEToolkits 1.7.6: c1c(cc(cc1O)O)O
• Formula: C6 H6 O3
• Name: benzene-1,3,5-triol;
  Phloroglucinol
• ChEMBL: CHEMBL473159
• DrugBank: DB12944
• ZINC: ZINC000000391883
• PDB chain: 4hdk Chain A Residue 702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hdk Structural Insights into the Function of the Nicotinate Mononucleotide:phenol/p-cresol Phosphoribosyltransferase (ArsAB) Enzyme from Sporomusa ovata.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): T28 K29 P30
• Binding residue (residue number reindexed from 1): T27 K28 P29
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E171 E303
• Catalytic site (residue number reindexed from 1): E164 E296
• Enzyme Commision number: 2.4.2.21: nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase.

Gene Ontology

Molecular Function

• GO:0008939 nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity
• GO:0016757 glycosyltransferase activity

Biological Process

• GO:0009236 cobalamin biosynthetic process

External links

• PDB: RCSB:4hdk, PDBe:4hdk, PDBj:4hdk
• PDBsum: 4hdk
• PubMed: 23039029
• UniProt: F6MZ56