Structure of PDB 7z5j Chain J Binding Site BS02
Receptor Information
>7z5j Chain J (length=267) Species:
322710
(Azotobacter vinelandii DJ) [
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STAELEELLMQRSLTDPQLQAAAAAAADFRILPDATVIKIGGQSVIDRGR
AAVYPLVDEIVAARKNHKLLIGTGAGTRARHLYSIAAGLGLPAGVLAQLG
SSVADQNAAMLGQLLAKHGIPVVGGAGLSAVPLSLAEVNAVVFSGMPPYK
LWMRPAAEGVIPPYRTDAGCFLLAEQFGCKQMIFVKDEDGLYTANPKTSK
DATFIPRISVDEMKAKGLHDSILEFPVLDLLQSAQHVREVQVVNGLVPGN
LTRALAGEHVGTIITAS
Ligand information
Ligand ID
ATP
InChI
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
7z5j Chain J Residue 302 [
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Receptor-Ligand Complex Structure
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PDB
7z5j
The molybdenum storage protein forms and deposits distinct polynuclear tungsten oxygen aggregates.
Resolution
2.58 Å
Binding residue
(original residue number in PDB)
K42 S47 G79 R83 K189 D190 E191 L194 Y195 N198 K200 D223 S224 I225
Binding residue
(residue number reindexed from 1)
K39 S44 G76 R80 K186 D187 E188 L191 Y192 N195 K197 D220 S221 I222
Annotation score
4
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:7z5j
,
PDBe:7z5j
,
PDBj:7z5j
PDBsum
7z5j
PubMed
35779405
UniProt
P84253
|MOSB_AZOVD Molybdenum storage protein subunit beta (Gene Name=mosB)
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