Structure of PDB 6rke Chain B Binding Site BS05

Receptor Information

>6rke Chain B (length=268) Species: 322710 (Azotobacter vinelandii DJ)

NSTAELEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIGGQSVIDRG
RAAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGLPAGVLAQL
GSSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAVVFSGMPPY
KLWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGLYTANPKTS
KDATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQVVNGLVPG
NLTRALAGEHVGTIITAS

Ligand information

• Ligand ID: LJB
• InChI: InChI=1S/8Mo.15H2O.11O/h;;;;;;;;15*1H2;;;;;;;;;;;/q2*+1;5*+2;+3;;;;;;;;;;;;;;;;;;;;;5*+1;+2/p-15
• InChIKey: BTBGOQYWAXYGKM-UHFFFAOYSA-A
• SMILES:
  CACTVS 3.385: O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O[Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+]79)[O++]168)[O+]2%10
  OpenEye OEToolkits 2.0.7: O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O
• Formula: H15 Mo8 O26
• Name: MO(8)-O(26) Cluster
• PDB chain: 6rke Chain B Residue 306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6rke Molybdate pumping into the molybdenum storage protein via an ATP-powered piercing mechanism.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): P124 V126 S132 V134 P135
• Binding residue (residue number reindexed from 1): P122 V124 S130 V132 P133
• Annotation score: 4

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