Structure of PDB 9c57 Chain L Binding Site BS01

Receptor Information
>9c57 Chain L (length=404) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDEVGALVFDIGSYTVRAGYAGEDCPKVDFPTAIGMVVEGPTYYIDTNAL
RVPRENMEAISPLKNGMVEDWDSFQAILDHTYKMHVKSEASLHPVLMSEA
PWNTRAKREKLTELMFEHYNIPAFFLCKTAVLTAFANGRSTGLILDSGAT
HTTAIPVHDGYVLQQGIVKSPLAGDFITMQCRELFQEMNIELVPPYMIAS
KEAVREGSPANWKRKEKLPQVTRSWHNYMCNCVIQDFQASVLQVSDSTYD
EQVAAQMPTVHYEFPNGYNCDFGAERLKIPEGLFDPSNVKGLSGNTMLGV
SHVVTTSVGMCDIDIRPGLYGSVIVAGGNTLIQSFTDRLNRELSQKTPPS
MRLKLIANNTTVERRFSSWIGGSILASLGTFQQMWISKQEYEEGGKQCVE
RKCP
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(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
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain9c57 Chain L Residue 501 [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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PDB9c57 Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		G19 S20 Y21 R24 D171 G173 A174 Q260 A264 G353 L356 R390
Binding residue
(residue number reindexed from 1)		G12 S13 Y14 R17 D146 G148 A149 Q235 A239 G328 L331 R365
Annotation score4
External links
PDB RCSB:9c57, PDBe:9c57, PDBj:9c57
PDBsum9c57
PubMed39088653
UniProtO96019|ACL6A_HUMAN Actin-like protein 6A (Gene Name=ACTL6A)

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