Structure of PDB 1td1 Chain B Binding Site BS01
Receptor Information
>1td1 Chain B (length=272) Species:
6183
(Schistosoma mansoni) [
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ESVTANIENVKKVAHHIQKLTSIVPEIGIICGSGLGKLADGVKDKITIPY
TKIPNFPQTSVVGHSGNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPI
RVMKLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGP
NQEAFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCY
ETPAECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVE
SAQRAELMQSWFEKIIEKLPKD
Ligand information
Ligand ID
ACT
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKey
QTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
Software
SMILES
ACDLabs 10.04
[O-]C(=O)C
OpenEye OEToolkits 1.5.0
CC(=O)[O-]
CACTVS 3.341
CC([O-])=O
Formula
C2 H3 O2
Name
ACETATE ION
ChEMBL
DrugBank
DB14511
ZINC
PDB chain
1td1 Chain B Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
1td1
Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
A119 G120 Y202 E203 V219
Binding residue
(residue number reindexed from 1)
A117 G118 Y200 E201 V217
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
S35 H66 H88 Y90 E91 A118 M221 S222 N245 S247
Catalytic site (residue number reindexed from 1)
S33 H64 H86 Y88 E89 A116 M219 S220 N243 S245
Enzyme Commision number
2.4.2.1
: purine-nucleoside phosphorylase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0004731
purine-nucleoside phosphorylase activity
GO:0016757
glycosyltransferase activity
GO:0047975
guanosine phosphorylase activity
Biological Process
GO:0006139
nucleobase-containing compound metabolic process
GO:0009116
nucleoside metabolic process
Cellular Component
GO:0005737
cytoplasm
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Cellular Component
External links
PDB
RCSB:1td1
,
PDBe:1td1
,
PDBj:1td1
PDBsum
1td1
PubMed
16182308
UniProt
Q9BMI9
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