Structure of PDB 1dd1 Chain B Binding Site BS03

Receptor Information
>1dd1 Chain B (length=249) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NGHLQHHPPMPPELAFQPPISNHPAPEYWCSIAYFEMDVQVGETFKVPSS
CPIVTVDGYVDPSGGDRFCLGQLSNVHRTEAIERARLHIGKGVQLECKGE
GDVWVRCLSDHAVFVQSYYLDREAGRAPGDAVHKIYPSAYIKVFDLRQCH
RQMQQQAATAQAAAAAQAAAVAGNIAPAISLSAAAGIGVDDLRRLCILRM
SFVKGWGPDYPRQSIKETPCWIEIHLHRALQLLDEVLHTMPIADPQPLD
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 B Residue 555 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		R194 R199
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)

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