Structure of PDB 6v89 Chain A Binding Site BS01

Receptor Information
>6v89 Chain A (length=332) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMPLVALLDGRDCTVEMPILKDVATVAFCDAQSTQEIHEKVLNEAVGALM
YHTITLTREDLEKFKALRIIVRIGSGFDNIDIKSAGDLGIAVCNVPAASV
EETADSTLCHILNLYRRATWLHQALREGTRVQSVEQIREVASGAARIRGE
TLGIIGLGRVGQAVALRAKAFGFNVLFYDPYLSDGVERALGLQRVSTLQD
LLFHSDCVTLHCGLNEHNHHLINDFTVKQMRQGAFLVNTARGGLVDEKAL
AQALKEGRIRGAALDVHESEPFSFSQGPLKDAPNLICTPHAAWYSEQASI
EMREEAAREIRRAITGRIPDSLKNCVNKDHLT
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain6v89 Chain A 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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PDB6v89 NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
Resolution2.45 Å
Binding residue
(original residue number in PDB)		G181 G183 R184 Y203 D204 P205 Y206 C237 N243
Binding residue
(residue number reindexed from 1)		G156 G158 R159 Y178 D179 P180 Y181 C212 N218
Annotation score4
Enzymatic activity
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0003714 transcription corepressor activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0051287 NAD binding

View graph for
Molecular Function
External links
PDB RCSB:6v89, PDBe:6v89, PDBj:6v89
PDBsum6v89
PubMed33524397
UniProtQ13363|CTBP1_HUMAN C-terminal-binding protein 1 (Gene Name=CTBP1)

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