Structure of PDB 7zke Chain E Binding Site BS03

Receptor Information
>7zke Chain E (length=1623) Species: 209285 (Thermochaetoides thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATRLDRLVTILETGSTRLIRDTAVNQLADWQKQHPEELFNLLSRVVPYLR
HKDWETRTTAAKAIGKIIENAPLYDPNANFFRLESLDVATIVKYGRPLLR
GGPVDYNLAALDPQKRLAHLKKTLNGRLGLLGRVFEDEEMPVEEIEADDG
AEWPFERLCEFLKVDLFDPQWETRHGAAMGLREVIRVHGAGAGRRRGKTR
KENNDLNRQWLDDLAYRLLCVLMLDKFTDYSSDTSVAPIRETVGQTLGAV
LRHISVESVHAIYRLLYCMVTQEDLPSEQNMWAVCHGGMVGLRYVVAVRK
DLLLQDGDMIDGVVRCVMQGLGDIDDDVRSVSAATLIPMAKEFVMMRRSA
LDSLINIVWESLSNLGDDLSASTGKIMDLLATLCSFPEVLEAMKVSASQD
EERSFTLLVPRLYPFLRHTITSVRLAVLKALMTFANLGGETSQGWLNGRI
LRLIFQNIIVERDQDTLNMSLELWTTLVRRLAARDPAILADEFEAHAEPM
MQLALHPIGVPRHPIPMNPALFQKPSGGHDVDGHMIQGEVDLVGVDVLIR
SRISAAKAMGLIMSFIPTPRLASYDTAVLQALSSPYASTQLAAAMVIDEY
AKNCSTPEVASRFIEPLQKIIDLERPSHYRDLVTYVQRVRSASQQLINLF
RDHGKVSQGKLPTLAVVVQGEPEAGPGAFSIANAEKVVNEDFERLKRLMA
PGQRLIALPQLNEAREQTVEVIEEAKAAKEARDARIKAAAACALVAMKVL
PKKPSPLIKAIMDSIKTEENQELQSRSAATIARLVQLFTESGRRGPAEKV
VANLVKFSCVEVAETPEFPIHAHKTNVILSMQKAVKYAREAKAARITRRG
AKEALEILSKNFGAELLERVPTLRTFMEEPLVRAFSGDLPPEARDPENAF
GQEIVDAMSVIRTMTPTLHPALHPFVMQQVPLVIKALRSDLSVFRYMAAK
CMATICSVITVDGMTALVEKVLPSINNPLDLSFRQGAIEVIYHLIAVMGD
AILPYVIFLIVPVLGRMSDSDNQIRLIATTSFATLVKLVPLEAGIPDPPG
LSEELLKGRDRERTFIAQLLDPKKIEPFKIPVAIKAELRSYQQEGVNWLA
FLNKYHLHGILCDDMGLGKTLQTICIVASDHHQRAEEFARTGAPEVRKLP
SLIICPPTLSGHWQQEIKTYAPFLTVTAYVGSPAERRAMKDSLDKTDIVI
TSYDVCRNDIDVIEKYNWNYCVLDEGHLIKNPKAKITLAVKRLTSNHRLI
LTGTPIQNNVLELWSLFDFLMPGFLGAEKVFLDRFAKPIANSRYSKASSK
EQEAGALAIEALHKQVLPFLLRRLKEEVLNDLPPKILQNYYCDLSDLQRK
LFEDFTKREGKKITETAGRDDKEAKQHIFQALQYMRKLCNSPALVMKPGH
KAYEDTQKYLAKHGTTLEDPIHAPKLGALRDLLVDCGIGVEGTPIKPHRA
LIFCQMKEMLDMVQNTVLKQMLPSVSYLRLDGSVEANKRQDIVNKFNSDP
SYDVLLLTTSVGGLGLNLTGADTVIFVEHDWNPQKDLQAMDRAHRIGQKK
VVNVYRIITRGTLEEKILSLQRFKIDVDMVDIETGDVRRPGKKAAWLEGL
GELWDNAQYEESFDLDGFLKTMQ
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7zke Chain E Residue 1902 [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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PDB7zke Structural basis for TBP displacement from TATA box DNA by the Swi2/Snf2 ATPase Mot1.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		G1327 K1328 T1329 L1330 Y1379 G1732 N1734 R1762
Binding residue
(residue number reindexed from 1)		G1118 K1119 T1120 L1121 Y1170 G1515 N1517 R1545
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017025 TBP-class protein binding
GO:0140658 ATP-dependent chromatin remodeler activity
Biological Process
GO:0006338 chromatin remodeling
Cellular Component
GO:0005634 nucleus

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7zke, PDBe:7zke, PDBj:7zke
PDBsum7zke
PubMed37106137
UniProtG0S6C0

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