Structure of PDB 8ari Chain J Binding Site BS02

Receptor Information
>8ari Chain J (length=331) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPLVALLDGRDCTVEMPILKDVATVAFCDAQSTQEIHEKVLNEAVGALMY
HTITLTREDLEKFKALRIIVRIGSGFDNIDIKSAGDLGIAVCNVPAASVE
ETADSTLCHILNLYRRATWLHQALREGTRVQSVEQIREVASGAARIRGET
LGIIGLGRVGQAVALRAKAFGFNVLFYDPYLSDGVERALGLQRVSTLQDL
LFHSDCVTLHCGLNEHNHHLINDFTVKQMRQGAFLVNTARGGLVDEKALA
QALKEGRIRGAALDVHESEPFSFSQGPLKDAPNLICTPHAAWYSEQASIE
MREEAAREIRRAITGRIPDSLKNCVNKDHLT
Ligand information
Ligand IDNAD
InChIInChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyBAWFJGJZGIEFAR-NNYOXOHSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
FormulaC21 H27 N7 O14 P2
NameNICOTINAMIDE-ADENINE-DINUCLEOTIDE
ChEMBLCHEMBL1234613
DrugBankDB14128
ZINC
PDB chain8ari Chain J Residue 501 [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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PDB8ari Cryo-EM structure of human CtBP1/RAI2(303-362) delta(331-341) filament
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S100 R184 V185 D204 Y206 C237 T264 R266 W318
Binding residue
(residue number reindexed from 1)		S74 R158 V159 D178 Y180 C211 T238 R240 W292
Annotation score4
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0001221 transcription coregulator binding
GO:0001222 transcription corepressor binding
GO:0003682 chromatin binding
GO:0003713 transcription coactivator activity
GO:0003714 transcription corepressor activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0019904 protein domain specific binding
GO:0042802 identical protein binding
GO:0051287 NAD binding
GO:0061629 RNA polymerase II-specific DNA-binding transcription factor binding
GO:0140297 DNA-binding transcription factor binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006468 protein phosphorylation
GO:0008285 negative regulation of cell population proliferation
GO:0019079 viral genome replication
GO:0030154 cell differentiation
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:0048488 synaptic vesicle endocytosis
GO:0050872 white fat cell differentiation
GO:0051726 regulation of cell cycle
GO:0097091 synaptic vesicle clustering
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0017053 transcription repressor complex
GO:0098831 presynaptic active zone cytoplasmic component
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ari, PDBe:8ari, PDBj:8ari
PDBsum8ari
PubMed
UniProtQ13363|CTBP1_HUMAN C-terminal-binding protein 1 (Gene Name=CTBP1)

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