Structure of PDB 1zv9 Chain A Binding Site BS01
Receptor Information
>1zv9 Chain A (length=172) Species:
35830
(Acetivibrio cellulolyticus) [
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APTSSIEIVLDKTTASVGEIVTASINIKNITNFSGCQLNMKYDPAVLQPV
TSSGVAYTKSTMPGAGTILNSDFNLRQVADNDLEKGILNFSKAYVSLDDY
RTAAAPEQTGTVAVVKFKVLKEETSSISFEDTTSVPNAIDGTVLFDWNGD
RIQSGYSVIQPAVINLDMIKAS
Ligand information
Ligand ID
PDO
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.0
C(CO)CO
ACDLabs 11.02
CACTVS 3.352
OCCCO
Formula
C3 H8 O2
Name
1,3-PROPANDIOL
ChEMBL
CHEMBL379652
DrugBank
DB02774
ZINC
ZINC000001529437
PDB chain
1zv9 Chain A Residue 3001 [
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Receptor-Ligand Complex Structure
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PDB
1zv9
Intermodular linker flexibility revealed from crystal structures of adjacent cellulosomal cohesins of Acetivibrio cellulolyticus.
Resolution
1.28 Å
Binding residue
(original residue number in PDB)
N30 Q109 T110
Binding residue
(residue number reindexed from 1)
N29 Q108 T109
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0030246
carbohydrate binding
Biological Process
GO:0000272
polysaccharide catabolic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:1zv9
,
PDBe:1zv9
,
PDBj:1zv9
PDBsum
1zv9
PubMed
19501595
UniProt
Q7WYN3
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