Structure of PDB 1i72 Chain A Binding Site BS02
Receptor Information
>1i72 Chain A (length=252) Species:
9606
(Homo sapiens) [
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cSMFVSKRRFILKTCGTTLLLKALVPLLKLARDYSGFDSIQSFFYSRKNF
MKPSHQGYPHRNFQEEIEFLNAIFPNGAGYCMGRMNSDCWYLYTLDFPES
QPDQTLEILMSELDPAVMDQFYMKDGVTAKDVTRESGIRDLIPGSVIDAT
MFNPCGYSMNGMKSDGTYWTIHITPEPEFSYVSFETNLSQTSYDDLIRKV
VEVFKPGKFVTTLFVNQSSKCRPQKIEGFKRLDCQSAMFNDYNFVFTSFA
KK
Ligand information
Ligand ID
PUT
InChI
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKey
KIDHWZJUCRJVML-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(CCN)CN
ACDLabs 10.04
CACTVS 3.341
NCCCCN
Formula
C4 H12 N2
Name
1,4-DIAMINOBUTANE;
PUTRESCINE
ChEMBL
CHEMBL46257
DrugBank
DB01917
ZINC
ZINC000005828633
PDB chain
1i72 Chain A Residue 350 [
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Receptor-Ligand Complex Structure
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PDB
1i72
The structural basis for substrate specificity and inhibition of human S-adenosylmethionine decarboxylase.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
F111 D174 T176
Binding residue
(residue number reindexed from 1)
F44 D103 T105
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
S229 H243
Catalytic site (residue number reindexed from 1)
S157 H171
Enzyme Commision number
4.1.1.50
: adenosylmethionine decarboxylase.
Gene Ontology
Molecular Function
GO:0004014
adenosylmethionine decarboxylase activity
Biological Process
GO:0006597
spermine biosynthetic process
GO:0008295
spermidine biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1i72
,
PDBe:1i72
,
PDBj:1i72
PDBsum
1i72
PubMed
11583147
UniProt
P17707
|DCAM_HUMAN S-adenosylmethionine decarboxylase proenzyme (Gene Name=AMD1)
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