Structure of PDB 6rkd Chain F Binding Site BS01

Receptor Information

>6rkd Chain F (length=268) Species: 322710 (Azotobacter vinelandii DJ)

NSTAELEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIGGQSVIDRG
RAAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGLPAGVLAQL
GSSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAVVFSGMPPY
KLWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGLYTANPKTS
KDATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQVVNGLVPG
NLTRALAGEHVGTIITAS

Ligand information

• Ligand ID: J8E
• InChI: InChI=1S/4Mo.7H2O.3O/h;;;;7*1H2;;;/q2*+1;+2;+3;;;;;;;;;;/p-7
• InChIKey: DPQAEXIBFYBKAN-UHFFFAOYSA-G
• SMILES:
  CACTVS 3.385: O.O.O.O.O.O[Mo]O[Mo]O[Mo]O[Mo]O
  OpenEye OEToolkits 2.0.7: O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O]
• Formula: H2 Mo4 O10
• Name: oxidanyl-[[2,2,4,4,4-pentakis($l^{1}-oxidanyl)-1-(oxidanylmolybdenio)-1$l^{3},3-dioxa-2$l^{5},4$l^{5}-dimolybdacyclobut-2-yl]oxy]molybdenum
• PDB chain: 6rkd Chain B Residue 808

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6rkd Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): P124 V126
• Binding residue (residue number reindexed from 1): P122 V124
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0030151 molybdenum ion binding
• GO:0045735 nutrient reservoir activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6rkd, PDBe:6rkd, PDBj:6rkd
• PDBsum: 6rkd
• PubMed: 31811022
• UniProt: P84253|MOSB_AZOVD Molybdenum storage protein subunit beta (Gene Name=mosB)