Structure of PDB 6h8b Chain B Binding Site BS01

Receptor Information
>6h8b Chain B (length=268) Species: 354 (Azotobacter vinelandii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSTAELEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIGGQSVIDRG
RAAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGLPAGVLAQL
GSSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAVVFSGMPPY
KLWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGLYTANPKTS
KDATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQVVNGLVPG
NLTRALAGEHVGTIITAS
Ligand information
Ligand IDJ7T
InChIInChI=1S/9Mo.18H2O.13O/h;;;;;;;;;18*1H2;;;;;;;;;;;;;/q2*+1;5*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18
InChIKeyOPVBNKHERKYGEI-UHFFFAOYSA-A
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]
CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]1O[Mo]2O[Mo]3O[Mo]4(O1)O[Mo]56O[Mo](O[Mo]7O[Mo](O7)(O5)O6)[O]234
FormulaMo9 O31
Namemolybdate cluster
ChEMBL
DrugBank
ZINC
PDB chain6h8b Chain B Residue 301 [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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PDB6h8b The molybdenum storage protein - A bionanolab for creating experimentally alterable polyoxomolybdate clusters.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D108 G127 G128 A129 G130 S147 M149 P151 K153 F180
Binding residue
(residue number reindexed from 1)		D106 G125 G126 A127 G128 S145 M147 P149 K151 F178
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030151 molybdenum ion binding
GO:0045735 nutrient reservoir activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6h8b, PDBe:6h8b, PDBj:6h8b
PDBsum6h8b
PubMed30278367
UniProtP84253|MOSB_AZOVD Molybdenum storage protein subunit beta (Gene Name=mosB)

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