Structure of PDB 6iro Chain L Binding Site BS03

Receptor Information
>6iro Chain L (length=496) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLEGTTKRFEHLLSLSGLFKHFIESKKFRQVLDVLEENQFRESPAYVNGQ
LRPYQIQGVNWLVSLHKNKIAGILADEMGLGKTLQTISFLGYLRYIEKIP
GPFLVIAPKSTLNNWLREINRWTPDVNAFILQGDKEERAELIQKKLLGCD
FDVVIASYEIIIREKSPLKKINWEYIIIDEAHRIKNEESMLSQVLREFTS
RNRLLITGTPLQNNLHELWALLNFLLPDIFSDAQDFDDWFSSESTEEDQD
KIVKQLHTVLQPFLLRRIKSDVETSLLPKKELNLYVGMSSMQKKWYKKIL
EKDESKTRLLNIMMQLRKCCNHPYLFKGAEPGPPYTTDEHLVYNAAKLQV
LDKLLKKLKEEGSRVLIFSQMSRLLDILEDYCYFRNYEYCRIDGSTAHED
RIQAIDDYNAPDSKKFVFLLTTRAGGLGINLTSADVVVLYDSDWNPQADL
QAMDRAHRIGQKKQVKVFRLVTDNSVEEKILERATQKLRLDQLVIQ
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 chain6iro Chain L Residue 2000 [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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PDB6iro Structures of the ISWI-nucleosome complex reveal a conserved mechanism of chromatin remodeling.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Q200 M223 G224 G226 K227 T228 L229 E263
Binding residue
(residue number reindexed from 1)		Q55 M78 G79 G81 K82 T83 L84 E118
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0000182 rDNA binding
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003730 mRNA 3'-UTR binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0031491 nucleosome binding
GO:0140658 ATP-dependent chromatin remodeler activity
Biological Process
GO:0001178 regulation of transcriptional start site selection at RNA polymerase II promoter
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006354 DNA-templated transcription elongation
GO:0006355 regulation of DNA-templated transcription
GO:0006363 termination of RNA polymerase I transcription
GO:0006369 termination of RNA polymerase II transcription
GO:0007062 sister chromatid cohesion
GO:0009408 response to heat
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046832 negative regulation of RNA export from nucleus
GO:1902275 regulation of chromatin organization
GO:1903895 negative regulation of IRE1-mediated unfolded protein response
Cellular Component
GO:0005634 nucleus
GO:0016587 Isw1 complex
GO:0030874 nucleolar chromatin
GO:0036436 Isw1a complex
GO:0036437 Isw1b complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6iro, PDBe:6iro, PDBj:6iro
PDBsum6iro
PubMed30872815
UniProtP38144|ISW1_YEAST ISWI chromatin-remodeling complex ATPase ISW1 (Gene Name=ISW1)

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