Structure of PDB 7enn Chain K Binding Site BS03

Receptor Information
>7enn Chain K (length=539) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AARVQEQDLRQWGLTGIHLRSYQLEGVNWLAQRFHCQNGCILGDEMGLGK
TCQTIALFIYLAGRLNDEGPFLILCPLSVLSNWKEEMQRFAPGLSCVTYA
GDKEERACLQQDLKQESRFHVLLTTYEICLKDASFLKSFPWSVLVVDEAH
RLKNQSSLLHKTLSEFSVVFSLLLTGTPIQNSLQELYSLLSFVEPDLFSK
EEVGDFIQRYQDIEKESESASELHKLLQPFLLRRVKAEVATELPKKTEVV
IYHGMSALQKKYYKAILMKKLQNILSQLRKCVDHPYLFDGVEPEPFEVGD
HLTEASGKLHLLDKLLAFLYSGGHRVLLFSQMTQMLDILQDYMDYRGYSY
ERVDGSVRGEERHLAIKNFGQQPIFVFLLSTRAGGVGMNLTAADTVIFVD
SDFNPQNDLQAAARAHRIGQNKSVKVIRLIGRDTVEEIVYRKAASKLQLT
NMIIEGGHFEILKFGLDKLLASEGSTMDEIDLESILGETKDGQWVSDAEG
KNHMYLFEGKDYSKEPSKEDRKSFEQLVNLQGRSLRNKG
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 chain7enn Chain K Residue 901 [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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PDB7enn Structural basis of ALC1/CHD1L autoinhibition and the mechanism of activation by the nucleosome.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I44 Q50 M73 G74 L75 G76 K77 T78 C79 E113 N429 R457 I458
Binding residue
(residue number reindexed from 1)		I17 Q23 M46 G47 L48 G49 K50 T51 C52 E86 N389 R417 I418
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003678 DNA helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0031491 nucleosome binding
GO:0140566 histone reader activity
GO:0140658 ATP-dependent chromatin remodeler activity
GO:0160004 poly-ADP-D-ribose modification-dependent protein binding
Biological Process
GO:0006281 DNA repair
GO:0006338 chromatin remodeling
GO:0006974 DNA damage response
GO:0032508 DNA duplex unwinding
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0035861 site of double-strand break

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7enn, PDBe:7enn, PDBj:7enn
PDBsum7enn
PubMed34210977
UniProtQ86WJ1|CHD1L_HUMAN Chromodomain-helicase-DNA-binding protein 1-like (Gene Name=CHD1L)

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