Structure of PDB 8ooc Chain J Binding Site BS01

Receptor Information
>8ooc Chain J (length=448) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEPWKRLPPPTVYPVKEARFEKYIPPQLDGRERALAQPPGQVAIVIDNGS
HSVRAGWNFEDKPRLAIPPIMSKYRDRKMGKTFSFAGSDCYAARSHIRNA
FEAGTGIVSNWDVMEHVLDYVFVKLGMNEDMPIVMTEAVANLPYSRKSMS
EIIFECYGAPSLVYGIDSLFSFRHNQGQTGLVVSSSYSATHVIPVYNRKA
LLSQAIRLNWGGWHMAEYMLKLLKLKYYTGFPGKLNSSQTEHMVRDFCYV
SLDYDRELAGYLDWTGLEDRERIVQYPYTEEQRDWSKSLLHAFRYGPRPF
DPSSQAETHRVHLNVERIRVPEVLFQPAAIAGVDQAGLVEIAGDILCQRL
PSLPGIQDAPDAFLRDVFLTGGNTLFQNFDERLRQGLMALLPVGAPLRVR
RAQDAILDAWRGAAGWACTEEAKAAWITREEYLEKGGEYIKEHDLGNA
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 chain8ooc Chain J Residue 802 [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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PDB8ooc Hexasome-INO80 complex reveals structural basis of noncanonical nucleosome remodeling.
Resolution2.93 Å
Binding residue
(original residue number in PDB)		G64 S65 H66 R69 S209 Y210 S211 G235 R268 G691 L694
Binding residue
(residue number reindexed from 1)		G49 S50 H51 R54 S186 Y187 S188 G212 R245 G372 L375
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links