Structure of PDB 6fhs Chain J Binding Site BS01

Receptor Information
>6fhs Chain J (length=441) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDEPWKRLPPPTVYPVKEARFEKYIPPQLDGRERALAQPPGQVAIVIDNG
SHSVRAGWNFEDKPRLAIPPIMSKYRDKTFSFAGSDCYAARSHIRNAFEA
GTGIVSNWDVMEHVLDYVFVKLGMNEDMPIVMTEAVANLPYSRKSMSEII
FECYGAPSLVYGIDSLFSFRHNQGQTGLVVSSSYSATHVIPVYNRKALLS
QAIRLNWGGWHMAEYMLKLLKLKYYTGFPGKLNSSQTEHMVRDFCYVSLD
YDRELAGYLDWTGLEDRERIVQYPDWSKSLLHAFRYGPRPFDPSSQAETH
RVHLNVERIRVPEVLFQPAAIAGVDQAGLVEIAGDILCQRLPSLPGIQDA
PDAFLRDVFLTGGNTLFQNFDERLRQGLMALLPVGAPLRVRRAQDAILDA
WRGAAGWACTEEAKAAWITREEYLEKGGEYIKEHDLGNAFA
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 chain6fhs Chain J Residue 801 [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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PDB6fhs Structural basis for ATP-dependent chromatin remodelling by the INO80 complex.
Resolution3.754 Å
Binding residue
(original residue number in PDB)		G64 S65 H66 S209 Y210 E264 R268 G691 L694 F695
Binding residue
(residue number reindexed from 1)		G50 S51 H52 S183 Y184 E238 R242 G363 L366 F367
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links