Structure of PDB 8a5p Chain V Binding Site BS01
Receptor Information
>8a5p Chain V (length=362) Species:
209285
(Thermochaetoides thermophila) [
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EVAALVIDNGSGMCKAGFAGDDAPRAVFPSIVGRPRHDSYVGDEAQSKRG
ILTLRYPIEHGVVTNWDDMEKIWHHTFYNELRVAPEEHPVLLTEAPINPK
SNREKMTQIVFETFNAPAFYVSIQAVLSLYASGRTTGIVLDSGDGVTHVV
PIYEGFSLPHAIARLDMAGRDLTDYLMKILAERGYTFSTTAEREIVRDIK
EKLCYVALDFEQEIQTAAQSSHLEKSYELPDGQVITIGNERFRAPEALFQ
PSVLGLESGGIHVTTFNSIMKCDVDVRKDLYGNIVMSGGTTMYPGLSDRM
QKEITALAPSSMKVKIIAPPERKYSVWIGGSILASLSTFQQMWISKQEYD
ESGPSIVHRKCF
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
8a5p Chain V Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
8a5p
Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Resolution
3.4 Å
Binding residue
(original residue number in PDB)
G13 S14 G15 K18 G156 D157 G158 G182 R210 K213 E214 G302 M305 K336
Binding residue
(residue number reindexed from 1)
G10 S11 G12 K15 G143 D144 G145 G169 R197 K200 E201 G289 M292 K323
Annotation score
5
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0016787
hydrolase activity
Cellular Component
GO:0005856
cytoskeleton
View graph for
Molecular Function
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Cellular Component
External links
PDB
RCSB:8a5p
,
PDBe:8a5p
,
PDBj:8a5p
PDBsum
8a5p
PubMed
36490333
UniProt
G0SE15
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