Structure of PDB 1a99 Chain D Binding Site BS01
Receptor Information
>1a99 Chain D (length=341) Species:
562
(Escherichia coli) [
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QKTLHIYNWSDYIAPDTVANFEKETGIKVVYDVFDSNEVLEGKLMAGSTG
FDLVVPSASFLERQLTAGVFQPLDKSKLPEWKNLDPELLKLVAKHDPDNK
FAMPYMWATTGIGYNVDKVKAVLGENAPVDSWDLILKPENLEKLKSCGVS
FLDAPEEVFATVLNYLGKDPNSTKADDYTGPATDLLLKLRPNIRYFHSSQ
YINDLANGDICVAIGWAGDVWQASNRAKEAKNGVNVSFSIPKEGAMAFFD
VFAMPADAKNKDEAYQFLNYLLRPDVVAHISDHVFYANANKAATPLVSAE
VRENPGIYPPADVRAKLFTLKVQDPKIDRVRTRAWTKVKSG
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
1a99 Chain D Residue 371 [
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Receptor-Ligand Complex Structure
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PDB
1a99
Crystal structure and mutational analysis of the Escherichia coli putrescine receptor. Structural basis for substrate specificity.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
W37 S38 Y40 W244 D247 F276 D278 Y314
Binding residue
(residue number reindexed from 1)
W9 S10 Y12 W216 D219 F248 D250 Y286
Annotation score
1
Binding affinity
MOAD
: Kd=2uM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0019808
polyamine binding
GO:0019810
putrescine binding
Biological Process
GO:0015846
polyamine transport
GO:0015847
putrescine transport
Cellular Component
GO:0016020
membrane
GO:0030288
outer membrane-bounded periplasmic space
GO:0042597
periplasmic space
GO:0055052
ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1a99
,
PDBe:1a99
,
PDBj:1a99
PDBsum
1a99
PubMed
9651355
UniProt
P31133
|POTF_ECOLI Putrescine-binding periplasmic protein PotF (Gene Name=potF)
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