Structure of PDB 7oob Chain b Binding Site BS03

Receptor Information
>7oob Chain b (length=520) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAEFDEGFKVPGFLFKKLFKYQQTGVRWLWELHCQQAGGILGDEMGLGKT
IQIIAFLAGLSYSKIRRFEGLGPTVIVCPTTVMHQWVKEFHTWWPPFRVA
ILHETGSYTHKKEKLIRDVAHCHGILITSYSYIRLMQDDISRYDWHYVIL
DEGHKIRNPNAAVTLACKQFRTPHRIILSGSPMQNNLRELWSLFDFIFPG
KLGTLPVFMEQFSVPITMGGYSNASPVQVKTAYKCACVLRDTINPYLLRR
MKSDVKMSLSLPDKNEQVLFCRLTDEQHKVYQNFVDSKEVYRILNGEMQI
FSGLIALRKICNHPDLFSGEEDQFGYWKRSGKMIVVESLLKIWHKQGQRV
LLFSQSRQMLDILEVFLRAQKYTYLKMDGTTTIASRQPLITRYNEDTSIF
VFLLTTRVGGLGVNLTGANRVVIYDPDWNPSTDTQARERAWRIGQKKQVT
VYRLLTAGTIEEKIYHRQIFKQFLTNRVLKDPKQRRFFKSNDLYELFTLT
SPDPLASSSLLAKMRARNHL
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 chain7oob Chain b Residue 1501 [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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PDB7oob Structural basis of human transcription-DNA repair coupling.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F508 Q511 G537 K538 T539 E584 N922 R950 I951
Binding residue
(residue number reindexed from 1)		F19 Q22 G48 K49 T50 E89 N414 R442 I443
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0003682 chromatin 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:0030296 protein tyrosine kinase activator activity
GO:0140658 ATP-dependent chromatin remodeler activity
Biological Process
GO:0000012 single strand break repair
GO:0000077 DNA damage checkpoint signaling
GO:0000303 response to superoxide
GO:0006281 DNA repair
GO:0006283 transcription-coupled nucleotide-excision repair
GO:0006284 base-excision repair
GO:0006290 pyrimidine dimer repair
GO:0006338 chromatin remodeling
GO:0006362 transcription elongation by RNA polymerase I
GO:0006366 transcription by RNA polymerase II
GO:0006974 DNA damage response
GO:0006979 response to oxidative stress
GO:0007254 JNK cascade
GO:0007399 nervous system development
GO:0008630 intrinsic apoptotic signaling pathway in response to DNA damage
GO:0009411 response to UV
GO:0009636 response to toxic substance
GO:0010165 response to X-ray
GO:0010224 response to UV-B
GO:0010332 response to gamma radiation
GO:0022008 neurogenesis
GO:0030182 neuron differentiation
GO:0031175 neuron projection development
GO:0032784 regulation of DNA-templated transcription elongation
GO:0032786 positive regulation of DNA-templated transcription, elongation
GO:0034243 regulation of transcription elongation by RNA polymerase II
GO:0035264 multicellular organism growth
GO:0042262 DNA protection
GO:0045494 photoreceptor cell maintenance
GO:0045739 positive regulation of DNA repair
GO:0045943 positive regulation of transcription by RNA polymerase I
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0045945 positive regulation of transcription by RNA polymerase III
GO:0060261 positive regulation of transcription initiation by RNA polymerase II
GO:0097680 double-strand break repair via classical nonhomologous end joining
GO:1905168 positive regulation of double-strand break repair via homologous recombination
GO:2001033 negative regulation of double-strand break repair via nonhomologous end joining
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005730 nucleolus
GO:0008023 transcription elongation factor complex
GO:0090734 site of DNA damage
GO:0110016 B-WICH complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7oob, PDBe:7oob, PDBj:7oob
PDBsum7oob
PubMed34526721
UniProtQ03468|ERCC6_HUMAN DNA excision repair protein ERCC-6 (Gene Name=ERCC6)

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