Structure of PDB 4lk6 Chain D Binding Site BS01
Receptor Information
>4lk6 Chain D (length=121) Species:
208964
(Pseudomonas aeruginosa PAO1) [
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AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
4lk6 Chain D Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
4lk6
CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Resolution
2.859 Å
Binding residue
(original residue number in PDB)
Y36 D100 T104 N107 N108
Binding residue
(residue number reindexed from 1)
Y36 D100 T104 N107 N108
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0030246
carbohydrate binding
Biological Process
GO:0007157
heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules
Cellular Component
GO:0005737
cytoplasm
GO:0009986
cell surface
GO:0042597
periplasmic space
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4lk6
,
PDBe:4lk6
,
PDBj:4lk6
PDBsum
4lk6
PubMed
23869965
UniProt
Q05097
|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)
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