Structure of PDB 1dd1 Chain A Binding Site BS01

Receptor Information
>1dd1 Chain A (length=221) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGHLQHHPPMPPQPPISNHPAPEYWCSIAYFEMDVQVGETFKVPSSCPIV
TVDGYVDPSGGDRFCLGQLSNVHRTEAIERARLHIGKGVQLECKGEGDVW
VRCLSDHAVFVQSYYLDREAGRAPGDAVHKIYPSAYIKVFDLRQCHRQMQ
QQAATAQAAAAAAAGIGVDDLRRLCILRMSFVKGWGPDYPRQSIKETPCW
IEIHLHRALQLLDEVLHTMPI
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1dd1 Chain A Residue 553 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1dd1 Crystal structure of a transcriptionally active Smad4 fragment.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		R497 R502
Binding residue
(residue number reindexed from 1)		R173 R178
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:1dd1, PDBe:1dd1, PDBj:1dd1
PDBsum1dd1
PubMed10647180
UniProtQ13485|SMAD4_HUMAN Mothers against decapentaplegic homolog 4 (Gene Name=SMAD4)

[Back to BioLiP]